3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole

C83H66N2 — CID 90068525

IUPAC3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole
SMILESCc1cc(C(C)(C)C)ccc1-c1ccc2c(c1)c1cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)c6cc(-c8ccc(C(C)(C)C)cc8)ccc6n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C83H66N2/c1-53-46-64(83(5,6)7)38-41-67(53)62-35-45-79-73(52-62)72-49-61(34-44-78(72)85(79)66-26-18-11-19-27-66)59-31-40-69-75(51-59)81(56-22-14-9-15-23-56)68-39-30-58(50-74(68)80(69)55-20-12-8-13-21-55)60-33-43-77-71(48-60)70-47-57(54-28-36-63(37-29-54)82(2,3)4)32-42-76(70)84(77)65-24-16-10-17-25-65/h8-52H,1-7H3
InChIKeyUUSBRKUQHBSYLC-UHFFFAOYSA-N
MW1091.45 g/mol
LogP23.09
Rot. Bonds8

About 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole

3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole (PubChem CID 90068525) has the molecular formula C83H66N2 and a molecular weight of 1091.45 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole
PubChem CID90068525
Molecular FormulaC83H66N2
Molecular Weight1091.45 g/mol
Exact Mass1090.52
IUPAC Name3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole
SMILESCc1cc(C(C)(C)C)ccc1-c1ccc2c(c1)c1cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)c6cc(-c8ccc(C(C)(C)C)cc8)ccc6n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C83H66N2/c1-53-46-64(83(5,6)7)38-41-67(53)62-35-45-79-73(52-62)72-49-61(34-44-78(72)85(79)66-26-18-11-19-27-66)59-31-40-69-75(51-59)81(56-22-14-9-15-23-56)68-39-30-58(50-74(68)80(69)55-20-12-8-13-21-55)60-33-43-77-71(48-60)70-47-57(54-28-36-63(37-29-54)82(2,3)4)32-42-76(70)84(77)65-24-16-10-17-25-65/h8-52H,1-7H3
InChIKeyUUSBRKUQHBSYLC-UHFFFAOYSA-N
XLogP23.09
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.45
LogP ≤ 523.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
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
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
3-tert-butyl-6-[4-[4-[10-[4-[4-[6-tert-butyl-9-(3-methylphenyl)carbazol-3-yl]phenyl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-phenylcarbazole
CID 162186342
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
CID 159087841
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-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991842
3-(4-methylnaphthalen-1-yl)-6,9-diphenylcarbazole
CID 156896770
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole (CID 90068525) is 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole is Cc1cc(C(C)(C)C)ccc1-c1ccc2c(c1)c1cc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc7c(c6)c6cc(-c8ccc(C(C)(C)C)cc8)ccc6n7-c6ccccc6)ccc5c(-c5ccccc5)c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole?
The InChIKey is UUSBRKUQHBSYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H66N2/c1-53-46-64(83(5,6)7)38-41-67(53)62-35-45-79-73(52-62)72-49-61(34-44-78(72)85(79)66-26-18-11-19-27-66)59-31-40-69-75(51-59)81(56-22-14-9-15-23-56)68-39-30-58(50-74(68)80(69)55-20-12-8-13-21-55)60-33-43-77-71(48-60)70-47-57(54-28-36-63(37-29-54)82(2,3)4)32-42-76(70)84(77)65-24-16-10-17-25-65/h8-52H,1-7H3.
What are the key properties of 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole?
3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole has a molecular weight of 1091.45 g/mol, XLogP of 23.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 90068525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).