9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole

C267H205N7 — CID 160928553

IUPAC9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole
SMILESCC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cccc5ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(C(C)(C)C)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(c1)c2c34.Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43
InChIInChI=1S/C50H36N2.C48H35N.2C44H33N.C42H37N.C39H31N/c1-50(2,3)35-26-32-21-20-31-22-24-38(43-25-23-33(27-35)48(32)49(31)43)34-28-36(51-44-16-8-4-12-39(44)40-13-5-9-17-45(40)51)30-37(29-34)52-46-18-10-6-14-41(46)42-15-7-11-19-47(42)52;1-48(2,3)34-27-32-21-25-40-42(31-19-23-35(24-20-31)49-44-17-8-6-14-38(44)39-15-7-9-18-45(39)49)29-43(41-26-22-33(28-34)46(32)47(40)41)37-16-10-12-30-11-4-5-13-36(30)37;1-44(2,3)34-26-32-17-16-31-20-24-36(39-25-21-33(27-34)42(32)43(31)39)30-14-12-28(13-15-30)29-18-22-35(23-19-29)45-40-10-6-4-8-37(40)38-9-5-7-11-41(38)45;1-44(2,3)32-25-30-19-23-36-38(28-11-5-4-6-12-28)27-39(37-24-20-31(26-32)42(30)43(36)37)29-17-21-33(22-18-29)45-40-15-9-7-13-34(40)35-14-8-10-16-41(35)45;1-41(2,3)29-23-27-17-21-33-35(25-36(42(4,5)6)34-22-18-28(24-29)39(27)40(33)34)26-15-19-30(20-16-26)43-37-13-9-7-11-31(37)32-12-8-10-14-38(32)43;1-24-21-34(33-20-16-27-23-28(39(2,3)4)22-26-15-19-30(24)38(33)37(26)27)25-13-17-29(18-14-25)40-35-11-7-5-9-31(35)32-10-6-8-12-36(32)40/h4-30H,1-3H3;4-29H,1-3H3;2*4-27H,1-3H3;7-25H,1-6H3;5-23H,1-4H3
InChIKeySSYMJWOHPNOLMR-UHFFFAOYSA-N
MW3511.63 g/mol
LogP74.73
Rot. Bonds16

About 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole

9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole (PubChem CID 160928553) has the molecular formula C267H205N7 and a molecular weight of 3511.63 g/mol. Its IUPAC name is 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole
PubChem CID160928553
Molecular FormulaC267H205N7
Molecular Weight3511.63 g/mol
Exact Mass3508.63
IUPAC Name9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole
SMILESCC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cccc5ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(C(C)(C)C)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(c1)c2c34.Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43
InChIInChI=1S/C50H36N2.C48H35N.2C44H33N.C42H37N.C39H31N/c1-50(2,3)35-26-32-21-20-31-22-24-38(43-25-23-33(27-35)48(32)49(31)43)34-28-36(51-44-16-8-4-12-39(44)40-13-5-9-17-45(40)51)30-37(29-34)52-46-18-10-6-14-41(46)42-15-7-11-19-47(42)52;1-48(2,3)34-27-32-21-25-40-42(31-19-23-35(24-20-31)49-44-17-8-6-14-38(44)39-15-7-9-18-45(39)49)29-43(41-26-22-33(28-34)46(32)47(40)41)37-16-10-12-30-11-4-5-13-36(30)37;1-44(2,3)34-26-32-17-16-31-20-24-36(39-25-21-33(27-34)42(32)43(31)39)30-14-12-28(13-15-30)29-18-22-35(23-19-29)45-40-10-6-4-8-37(40)38-9-5-7-11-41(38)45;1-44(2,3)32-25-30-19-23-36-38(28-11-5-4-6-12-28)27-39(37-24-20-31(26-32)42(30)43(36)37)29-17-21-33(22-18-29)45-40-15-9-7-13-34(40)35-14-8-10-16-41(35)45;1-41(2,3)29-23-27-17-21-33-35(25-36(42(4,5)6)34-22-18-28(24-29)39(27)40(33)34)26-15-19-30(20-16-26)43-37-13-9-7-11-31(37)32-12-8-10-14-38(32)43;1-24-21-34(33-20-16-27-23-28(39(2,3)4)22-26-15-19-30(24)38(33)37(26)27)25-13-17-29(18-14-25)40-35-11-7-5-9-31(35)32-10-6-8-12-36(32)40/h4-30H,1-3H3;4-29H,1-3H3;2*4-27H,1-3H3;7-25H,1-6H3;5-23H,1-4H3
InChIKeySSYMJWOHPNOLMR-UHFFFAOYSA-N
XLogP74.73
TPSA34.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms274
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003511.63
LogP ≤ 574.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole
CID 159637471
9-[3-[3,8-bis(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[3,8-bis(4-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-3-naphthalen-1-ylpyren-1-yl]phenyl]carbazole
CID 158821382
3,9-bis(7-tert-butylpyren-2-yl)-11-phenylbenzo[a]carbazole;4,9-bis(6-tert-butylpyren-1-yl)-11-phenylbenzo[a]carbazole;4,9-bis(7-tert-butylpyren-2-yl)-11-phenylbenzo[a]carbazole;3,7-bis(7-tert-butylpyren-2-yl)-5-phenylbenzo[b]carbazole;3,9-bis(7-methylpyren-2-yl)-11-phenylbenzo[a]carbazole;11-phenyl-3,9-bis(6-phenylpyren-1-yl)benzo[a]carbazole
CID 158865758
9-[3-(4-tert-butylphenyl)-5-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[2,5-dimethyl-4-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[2-methyl-4-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[3-methyl-4-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-naphthalen-2-ylphenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]carbazole
CID 159507282
7-tert-butyl-1-(8-naphthalen-1-yl-6-phenanthren-9-ylnaphthalen-2-yl)pyrene
CID 59629694
3,7-bis(6-tert-butylpyren-1-yl)-5-phenylbenzo[b]carbazole
CID 139341370
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
CID 160792996
3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole
CID 162019578
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
1-[3,5-bis(7-tert-butylpyren-1-yl)phenyl]-7-tert-butylpyrene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;1-[4-(4-pyren-1-ylphenyl)phenyl]pyrene;1-(4-pyren-1-ylphenyl)pyrene
CID 160998212
3-methyl-1,6-dinaphthalen-1-ylpyrene
CID 142716789
9-[4-[6-(3,5-dimethylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-methylnaphthalen-1-yl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(3-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-phenylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2,4,6-trimethylphenyl)pyren-1-yl]phenyl]carbazole
CID 159898915

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole (CID 160928553) is 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole is CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cccc5ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(C(C)(C)C)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(c1)c2c34.Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43.
What is the InChIKey of 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole?
The InChIKey is SSYMJWOHPNOLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2.C48H35N.2C44H33N.C42H37N.C39H31N/c1-50(2,3)35-26-32-21-20-31-22-24-38(43-25-23-33(27-35)48(32)49(31)43)34-28-36(51-44-16-8-4-12-39(44)40-13-5-9-17-45(40)51)30-37(29-34)52-46-18-10-6-14-41(46)42-15-7-11-19-47(42)52;1-48(2,3)34-27-32-21-25-40-42(31-19-23-35(24-20-31)49-44-17-8-6-14-38(44)39-15-7-9-18-45(39)49)29-43(41-26-22-33(28-34)46(32)47(40)41)37-16-10-12-30-11-4-5-13-36(30)37;1-44(2,3)34-26-32-17-16-31-20-24-36(39-25-21-33(27-34)42(32)43(31)39)30-14-12-28(13-15-30)29-18-22-35(23-19-29)45-40-10-6-4-8-37(40)38-9-5-7-11-41(38)45;1-44(2,3)32-25-30-19-23-36-38(28-11-5-4-6-12-28)27-39(37-24-20-31(26-32)42(30)43(36)37)29-17-21-33(22-18-29)45-40-15-9-7-13-34(40)35-14-8-10-16-41(35)45;1-41(2,3)29-23-27-17-21-33-35(25-36(42(4,5)6)34-22-18-28(24-29)39(27)40(33)34)26-15-19-30(20-16-26)43-37-13-9-7-11-31(37)32-12-8-10-14-38(32)43;1-24-21-34(33-20-16-27-23-28(39(2,3)4)22-26-15-19-30(24)38(33)37(26)27)25-13-17-29(18-14-25)40-35-11-7-5-9-31(35)32-10-6-8-12-36(32)40/h4-30H,1-3H3;4-29H,1-3H3;2*4-27H,1-3H3;7-25H,1-6H3;5-23H,1-4H3.
What are the key properties of 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole?
9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole has a molecular weight of 3511.63 g/mol, XLogP of 74.73, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole is sourced from PubChem (CID 160928553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).