1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole

C68H43NP2 — CID 155334316

IUPAC1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4c5cccc(-c6cccc7c8ccccc8p(-c8ccccc8)c67)c5cc5c(-c6cccc7c8ccccc8p(-c8ccccc8)c67)cccc45)c32)cc1
InChIInChI=1S/C68H43NP2/c1-4-21-44(22-5-1)69-62-40-13-10-27-49(62)54-34-18-39-59(66(54)69)65-52-32-16-30-47(55-35-19-37-57-50-28-11-14-41-63(50)70(67(55)57)45-23-6-2-7-24-45)60(52)43-61-48(31-17-33-53(61)65)56-36-20-38-58-51-29-12-15-42-64(51)71(68(56)58)46-25-8-3-9-26-46/h1-43H
InChIKeyUPENONPJCXTTLQ-UHFFFAOYSA-N
MW936.05 g/mol
LogP20.66
Rot. Bonds6

About 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole

1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 155334316) has the molecular formula C68H43NP2 and a molecular weight of 936.05 g/mol. Its IUPAC name is 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID155334316
Molecular FormulaC68H43NP2
Molecular Weight936.05 g/mol
Exact Mass935.29
IUPAC Name1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4c5cccc(-c6cccc7c8ccccc8p(-c8ccccc8)c67)c5cc5c(-c6cccc7c8ccccc8p(-c8ccccc8)c67)cccc45)c32)cc1
InChIInChI=1S/C68H43NP2/c1-4-21-44(22-5-1)69-62-40-13-10-27-49(62)54-34-18-39-59(66(54)69)65-52-32-16-30-47(55-35-19-37-57-50-28-11-14-41-63(50)70(67(55)57)45-23-6-2-7-24-45)60(52)43-61-48(31-17-33-53(61)65)56-36-20-38-58-51-29-12-15-42-64(51)71(68(56)58)46-25-8-3-9-26-46/h1-43H
InChIKeyUPENONPJCXTTLQ-UHFFFAOYSA-N
XLogP20.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.05
LogP ≤ 520.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011
4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 155334554
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333072
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
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole
CID 129092035
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
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
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
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
4-[4,5-bis(5H-benzo[b][1]benzogermol-1-yl)anthracen-9-yl]-5,5-diphenylbenzo[b][1]benzosilole;1-[4,5-bis(5H-benzo[b][1]benzogermol-1-yl)anthracen-9-yl]-9-phenylcarbazole;7-[4,5-bis(5-phenylbenzo[b]phosphindol-1-yl)anthracen-9-yl]-2-ethyl-1-phenylbenzimidazole
CID 158705531

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole (CID 155334316) is 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4c5cccc(-c6cccc7c8ccccc8p(-c8ccccc8)c67)c5cc5c(-c6cccc7c8ccccc8p(-c8ccccc8)c67)cccc45)c32)cc1.
What is the InChIKey of 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is UPENONPJCXTTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NP2/c1-4-21-44(22-5-1)69-62-40-13-10-27-49(62)54-34-18-39-59(66(54)69)65-52-32-16-30-47(55-35-19-37-57-50-28-11-14-41-63(50)70(67(55)57)45-23-6-2-7-24-45)60(52)43-61-48(31-17-33-53(61)65)56-36-20-38-58-51-29-12-15-42-64(51)71(68(56)58)46-25-8-3-9-26-46/h1-43H.
What are the key properties of 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole?
1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 936.05 g/mol, XLogP of 20.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 155334316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).