1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole

C68H43N3 — CID 155335011

IUPAC1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c6cccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c6cc45)c32)cc1
InChIInChI=1S/C68H43N3/c1-4-21-44(22-5-1)69-62-40-13-10-27-49(62)56-36-18-34-54(66(56)69)47-30-16-32-52-60(47)43-61-48(55-35-19-37-57-50-28-11-14-41-63(50)70(67(55)57)45-23-6-2-7-24-45)31-17-33-53(61)65(52)59-39-20-38-58-51-29-12-15-42-64(51)71(68(58)59)46-25-8-3-9-26-46/h1-43H
InChIKeyGOOBPVRIAVOUOS-UHFFFAOYSA-N
MW902.11 g/mol
LogP18.29
Rot. Bonds6

About 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole

1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 155335011) has the molecular formula C68H43N3 and a molecular weight of 902.11 g/mol. Its IUPAC name is 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID155335011
Molecular FormulaC68H43N3
Molecular Weight902.11 g/mol
Exact Mass901.35
IUPAC Name1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c6cccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c6cc45)c32)cc1
InChIInChI=1S/C68H43N3/c1-4-21-44(22-5-1)69-62-40-13-10-27-49(62)56-36-18-34-54(66(56)69)47-30-16-32-52-60(47)43-61-48(55-35-19-37-57-50-28-11-14-41-63(50)70(67(55)57)45-23-6-2-7-24-45)31-17-33-53(61)65(52)59-39-20-38-58-51-29-12-15-42-64(51)71(68(58)59)46-25-8-3-9-26-46/h1-43H
InChIKeyGOOBPVRIAVOUOS-UHFFFAOYSA-N
XLogP18.29
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.11
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155334316
9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333072
9-phenyl-1-[10-phenyl-8-(9-phenylcarbazol-1-yl)anthracen-1-yl]carbazole;9-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]carbazole;9-phenyl-3-[10-phenyl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]carbazole
CID 158188539
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-1-yl)anthracen-1-yl]-9-phenylcarbazole;2-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole;3-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 160793440
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole
CID 129092035
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
5-phenyl-4-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221355
9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155333620

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole (CID 155335011) is 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4cccc5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c6cccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c6cc45)c32)cc1.
What is the InChIKey of 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is GOOBPVRIAVOUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N3/c1-4-21-44(22-5-1)69-62-40-13-10-27-49(62)56-36-18-34-54(66(56)69)47-30-16-32-52-60(47)43-61-48(55-35-19-37-57-50-28-11-14-41-63(50)70(67(55)57)45-23-6-2-7-24-45)31-17-33-53(61)65(52)59-39-20-38-58-51-29-12-15-42-64(51)71(68(58)59)46-25-8-3-9-26-46/h1-43H.
What are the key properties of 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole?
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 902.11 g/mol, XLogP of 18.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 155335011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).