9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole

C131H103N3 — CID 161317938

IUPAC9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1.CC(C)(C)c1ccc2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc3c(-c3ccccc3)c2c1.Cc1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc(C(C)(C)C)ccc23)cc1
InChIInChI=1S/C46H35N.C43H35N.C42H33N/c1-46(2,3)34-25-26-40-41(29-34)45(39-20-7-6-19-38(39)44(40)33-24-23-30-13-4-5-14-31(30)27-33)32-15-12-16-35(28-32)47-42-21-10-8-17-36(42)37-18-9-11-22-43(37)47;1-28-20-22-29(23-21-28)41-35-16-5-6-17-36(35)42(38-27-31(43(2,3)4)24-25-37(38)41)30-12-11-13-32(26-30)44-39-18-9-7-14-33(39)34-15-8-10-19-40(34)44;1-42(2,3)30-24-25-36-37(27-30)40(28-14-5-4-6-15-28)34-20-7-8-21-35(34)41(36)29-16-13-17-31(26-29)43-38-22-11-9-18-32(38)33-19-10-12-23-39(33)43/h4-29H,1-3H3;5-27H,1-4H3;4-27H,1-3H3
InChIKeyVJTBUBNAXHMAET-UHFFFAOYSA-N
MW1719.29 g/mol
LogP36.63
Rot. Bonds9

About 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole

9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 161317938) has the molecular formula C131H103N3 and a molecular weight of 1719.29 g/mol. Its IUPAC name is 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID161317938
Molecular FormulaC131H103N3
Molecular Weight1719.29 g/mol
Exact Mass1717.82
IUPAC Name9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1.CC(C)(C)c1ccc2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc3c(-c3ccccc3)c2c1.Cc1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc(C(C)(C)C)ccc23)cc1
InChIInChI=1S/C46H35N.C43H35N.C42H33N/c1-46(2,3)34-25-26-40-41(29-34)45(39-20-7-6-19-38(39)44(40)33-24-23-30-13-4-5-14-31(30)27-33)32-15-12-16-35(28-32)47-42-21-10-8-17-36(42)37-18-9-11-22-43(37)47;1-28-20-22-29(23-21-28)41-35-16-5-6-17-36(35)42(38-27-31(43(2,3)4)24-25-37(38)41)30-12-11-13-32(26-30)44-39-18-9-7-14-33(39)34-15-8-10-19-40(34)44;1-42(2,3)30-24-25-36-37(27-30)40(28-14-5-4-6-15-28)34-20-7-8-21-35(34)41(36)29-16-13-17-31(26-29)43-38-22-11-9-18-32(38)33-19-10-12-23-39(33)43/h4-29H,1-3H3;5-27H,1-4H3;4-27H,1-3H3
InChIKeyVJTBUBNAXHMAET-UHFFFAOYSA-N
XLogP36.63
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001719.29
LogP ≤ 536.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991842
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58875995
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-naphthalen-2-ylcarbazole;3-naphthalen-1-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-naphthalen-2-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 161107291
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
3-(2-tert-butyl-10-pyren-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 143844259
9-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;2-[3-(10-methylanthracen-9-yl)phenyl]-9,10-dinaphthalen-2-ylanthracene;9-(6-methylnaphthalen-2-yl)carbazole
CID 159091690
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
CID 162176343
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole (CID 161317938) is 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole is CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1.CC(C)(C)c1ccc2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc3c(-c3ccccc3)c2c1.Cc1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cc(C(C)(C)C)ccc23)cc1.
What is the InChIKey of 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is VJTBUBNAXHMAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N.C43H35N.C42H33N/c1-46(2,3)34-25-26-40-41(29-34)45(39-20-7-6-19-38(39)44(40)33-24-23-30-13-4-5-14-31(30)27-33)32-15-12-16-35(28-32)47-42-21-10-8-17-36(42)37-18-9-11-22-43(37)47;1-28-20-22-29(23-21-28)41-35-16-5-6-17-36(35)42(38-27-31(43(2,3)4)24-25-37(38)41)30-12-11-13-32(26-30)44-39-18-9-7-14-33(39)34-15-8-10-19-40(34)44;1-42(2,3)30-24-25-36-37(27-30)40(28-14-5-4-6-15-28)34-20-7-8-21-35(34)41(36)29-16-13-17-31(26-29)43-38-22-11-9-18-32(38)33-19-10-12-23-39(33)43/h4-29H,1-3H3;5-27H,1-4H3;4-27H,1-3H3.
What are the key properties of 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole?
9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1719.29 g/mol, XLogP of 36.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 161317938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).