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

C276H192N6 — CID 159507282

IUPAC9-[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
SMILESCc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccc(C(C)(C)C)cc6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccc7ccccc7c6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(C)c(-n6c7ccccc7c7ccccc76)cc5C)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)c(C)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5C)ccc5ccc2c3c54)cc1
InChIInChI=1S/C51H33N.C51H39N.C47H31N.C43H31N.2C42H29N/c1-32-14-16-34(17-15-32)42-24-20-35-23-27-47-43(25-21-36-22-26-46(42)50(35)51(36)47)40-29-39(38-19-18-33-8-2-3-9-37(33)28-38)30-41(31-40)52-48-12-6-4-10-44(48)45-11-5-7-13-49(45)52;1-32-13-15-34(16-14-32)41-25-19-35-22-28-46-42(26-20-36-21-27-45(41)49(35)50(36)46)38-29-37(33-17-23-39(24-18-33)51(2,3)4)30-40(31-38)52-47-11-7-5-9-43(47)44-10-6-8-12-48(44)52;1-30-15-17-32(18-16-30)38-23-19-33-22-26-43-39(24-20-34-21-25-42(38)46(33)47(34)43)36-27-35(31-9-3-2-4-10-31)28-37(29-36)48-44-13-7-5-11-40(44)41-12-6-8-14-45(41)48;1-26-12-14-29(15-13-26)32-20-16-30-19-23-37-33(21-17-31-18-22-36(32)42(30)43(31)37)38-24-28(3)41(25-27(38)2)44-39-10-6-4-8-34(39)35-9-5-7-11-40(35)44;1-26-11-13-28(14-12-26)33-20-15-29-18-23-38-34(21-16-30-17-22-37(33)41(29)42(30)38)32-24-19-31(25-27(32)2)43-39-9-5-3-7-35(39)36-8-4-6-10-40(36)43;1-26-11-13-28(14-12-26)32-20-15-29-18-23-37-33(21-16-30-17-22-36(32)41(29)42(30)37)31-19-24-38(27(2)25-31)43-39-9-5-3-7-34(39)35-8-4-6-10-40(35)43/h2-31H,1H3;5-31H,1-4H3;2-29H,1H3;4-25H,1-3H3;2*3-25H,1-2H3
InChIKeyMADSUUARNWXJTH-UHFFFAOYSA-N
MW3592.61 g/mol
LogP76.63
Rot. Bonds21

About 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

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 (PubChem CID 159507282) has the molecular formula C276H192N6 and a molecular weight of 3592.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID159507282
Molecular FormulaC276H192N6
Molecular Weight3592.61 g/mol
Exact Mass3589.52
IUPAC Name9-[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
SMILESCc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccc(C(C)(C)C)cc6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccc7ccccc7c6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(C)c(-n6c7ccccc7c7ccccc76)cc5C)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)c(C)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5C)ccc5ccc2c3c54)cc1
InChIInChI=1S/C51H33N.C51H39N.C47H31N.C43H31N.2C42H29N/c1-32-14-16-34(17-15-32)42-24-20-35-23-27-47-43(25-21-36-22-26-46(42)50(35)51(36)47)40-29-39(38-19-18-33-8-2-3-9-37(33)28-38)30-41(31-40)52-48-12-6-4-10-44(48)45-11-5-7-13-49(45)52;1-32-13-15-34(16-14-32)41-25-19-35-22-28-46-42(26-20-36-21-27-45(41)49(35)50(36)46)38-29-37(33-17-23-39(24-18-33)51(2,3)4)30-40(31-38)52-47-11-7-5-9-43(47)44-10-6-8-12-48(44)52;1-30-15-17-32(18-16-30)38-23-19-33-22-26-43-39(24-20-34-21-25-42(38)46(33)47(34)43)36-27-35(31-9-3-2-4-10-31)28-37(29-36)48-44-13-7-5-11-40(44)41-12-6-8-14-45(41)48;1-26-12-14-29(15-13-26)32-20-16-30-19-23-37-33(21-17-31-18-22-36(32)42(30)43(31)37)38-24-28(3)41(25-27(38)2)44-39-10-6-4-8-34(39)35-9-5-7-11-40(35)44;1-26-11-13-28(14-12-26)33-20-15-29-18-23-38-34(21-16-30-17-22-37(33)41(29)42(30)38)32-24-19-31(25-27(32)2)43-39-9-5-3-7-35(39)36-8-4-6-10-40(36)43;1-26-11-13-28(14-12-26)32-20-15-29-18-23-37-33(21-16-30-17-22-36(32)41(29)42(30)37)31-19-24-38(27(2)25-31)43-39-9-5-3-7-34(39)35-8-4-6-10-40(35)43/h2-31H,1H3;5-31H,1-4H3;2-29H,1H3;4-25H,1-3H3;2*3-25H,1-2H3
InChIKeyMADSUUARNWXJTH-UHFFFAOYSA-N
XLogP76.63
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms282
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003592.61
LogP ≤ 576.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccc(C(C)(C)C)cc6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccc7ccccc7c6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(C)c(-n6c7ccccc7c7ccccc76)cc5C)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)c(C)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5C)ccc5ccc2c3c54)cc1.
What is the InChIKey of 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?
The InChIKey is MADSUUARNWXJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N.C51H39N.C47H31N.C43H31N.2C42H29N/c1-32-14-16-34(17-15-32)42-24-20-35-23-27-47-43(25-21-36-22-26-46(42)50(35)51(36)47)40-29-39(38-19-18-33-8-2-3-9-37(33)28-38)30-41(31-40)52-48-12-6-4-10-44(48)45-11-5-7-13-49(45)52;1-32-13-15-34(16-14-32)41-25-19-35-22-28-46-42(26-20-36-21-27-45(41)49(35)50(36)46)38-29-37(33-17-23-39(24-18-33)51(2,3)4)30-40(31-38)52-47-11-7-5-9-43(47)44-10-6-8-12-48(44)52;1-30-15-17-32(18-16-30)38-23-19-33-22-26-43-39(24-20-34-21-25-42(38)46(33)47(34)43)36-27-35(31-9-3-2-4-10-31)28-37(29-36)48-44-13-7-5-11-40(44)41-12-6-8-14-45(41)48;1-26-12-14-29(15-13-26)32-20-16-30-19-23-37-33(21-17-31-18-22-36(32)42(30)43(31)37)38-24-28(3)41(25-27(38)2)44-39-10-6-4-8-34(39)35-9-5-7-11-40(35)44;1-26-11-13-28(14-12-26)33-20-15-29-18-23-38-34(21-16-30-17-22-37(33)41(29)42(30)38)32-24-19-31(25-27(32)2)43-39-9-5-3-7-35(39)36-8-4-6-10-40(36)43;1-26-11-13-28(14-12-26)32-20-15-29-18-23-37-33(21-16-30-17-22-36(32)41(29)42(30)37)31-19-24-38(27(2)25-31)43-39-9-5-3-7-34(39)35-8-4-6-10-40(35)43/h2-31H,1H3;5-31H,1-4H3;2-29H,1H3;4-25H,1-3H3;2*3-25H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3592.61 g/mol, XLogP of 76.63, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159507282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).