9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole

C68H42N2 — CID 88868882

IUPAC9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole
SMILESc1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccc(-c4cccc5c4ccc4cc6ccccc6cc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C68H42N2/c1-2-15-44(16-3-1)67-58-37-34-50(70-65-27-12-8-21-56(65)57-22-9-13-28-66(57)70)42-62(58)68(59-38-35-49(41-61(59)67)69-63-25-10-6-19-54(63)55-20-7-11-26-64(55)69)45-31-29-43(30-32-45)51-23-14-24-52-53(51)36-33-48-39-46-17-4-5-18-47(46)40-60(48)52/h1-42H
InChIKeyOXSLQMGHUDFZSL-UHFFFAOYSA-N
MW887.10 g/mol
LogP18.65
Rot. Bonds5

About 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole

9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole (PubChem CID 88868882) has the molecular formula C68H42N2 and a molecular weight of 887.10 g/mol. Its IUPAC name is 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole
PubChem CID88868882
Molecular FormulaC68H42N2
Molecular Weight887.10 g/mol
Exact Mass886.33
IUPAC Name9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole
SMILESc1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccc(-c4cccc5c4ccc4cc6ccccc6cc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C68H42N2/c1-2-15-44(16-3-1)67-58-37-34-50(70-65-27-12-8-21-56(65)57-22-9-13-28-66(57)70)42-62(58)68(59-38-35-49(41-61(59)67)69-63-25-10-6-19-54(63)55-20-7-11-26-64(55)69)45-31-29-43(30-32-45)51-23-14-24-52-53(51)36-33-48-39-46-17-4-5-18-47(46)40-60(48)52/h1-42H
InChIKeyOXSLQMGHUDFZSL-UHFFFAOYSA-N
XLogP18.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.10
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[6-carbazol-9-yl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219883
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole
CID 164740453
9-[4-(10-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 130377387
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
9-phenyl-3-[4-(10-phenylanthracen-1-yl)phenyl]carbazole
CID 141374936
2-[9-(3-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-anthracen-9-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole;2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(2-phenylphenyl)carbazole
CID 159388535
1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 59412495
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
12-[4-(3-anthracen-1-yl-10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-anthracen-2-yl-10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-anthracen-9-yl-10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158511893

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole?
The IUPAC name of 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole (CID 88868882) is 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole.
What is the SMILES notation for 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole?
The canonical SMILES for 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole is c1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccc(-c4cccc5c4ccc4cc6ccccc6cc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.
What is the InChIKey of 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole?
The InChIKey is OXSLQMGHUDFZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2/c1-2-15-44(16-3-1)67-58-37-34-50(70-65-27-12-8-21-56(65)57-22-9-13-28-66(57)70)42-62(58)68(59-38-35-49(41-61(59)67)69-63-25-10-6-19-54(63)55-20-7-11-26-64(55)69)45-31-29-43(30-32-45)51-23-14-24-52-53(51)36-33-48-39-46-17-4-5-18-47(46)40-60(48)52/h1-42H.
What are the key properties of 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole?
9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole has a molecular weight of 887.10 g/mol, XLogP of 18.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4-benzo[a]anthracen-4-ylphenyl)-6-carbazol-9-yl-10-phenylanthracen-2-yl]carbazole is sourced from PubChem (CID 88868882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).