1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole

C42H27N — CID 167187306

IUPAC1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c32)cc1
InChIInChI=1S/C42H27N/c1-2-16-29(17-3-1)43-39-27-11-10-19-31(39)37-25-13-26-38(42(37)43)41-35-22-8-6-20-33(35)40(34-21-7-9-23-36(34)41)32-24-12-15-28-14-4-5-18-30(28)32/h1-27H
InChIKeyVRTGKSCFLFDCRK-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.58
Rot. Bonds3

About 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole

1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole (PubChem CID 167187306) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
PubChem CID167187306
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c32)cc1
InChIInChI=1S/C42H27N/c1-2-16-29(17-3-1)43-39-27-11-10-19-31(39)37-25-13-26-38(42(37)43)41-35-22-8-6-20-33(35)40(34-21-7-9-23-36(34)41)32-24-12-15-28-14-4-5-18-30(28)32/h1-27H
InChIKeyVRTGKSCFLFDCRK-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.58
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

5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-11-phenylbenzo[a]carbazole
CID 129092035
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011
21-naphthalen-1-yl-27-phenyl-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene
CID 170226043
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367
5-(9,10-diphenylanthracen-2-yl)-11-phenylbenzo[a]carbazole;5-[4-(3,10-diphenylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 158978981
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
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
9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333072
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 129254628
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
CID 71127177

Frequently Asked Questions

What is the IUPAC name of 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole?
The IUPAC name of 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole (CID 167187306) is 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole?
The canonical SMILES for 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c32)cc1.
What is the InChIKey of 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole?
The InChIKey is VRTGKSCFLFDCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-16-29(17-3-1)43-39-27-11-10-19-31(39)37-25-13-26-38(42(37)43)41-35-22-8-6-20-33(35)40(34-21-7-9-23-36(34)41)32-24-12-15-28-14-4-5-18-30(28)32/h1-27H.
What are the key properties of 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole?
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole has a molecular weight of 545.69 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 167187306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).