2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

C46H30N2 — CID 142356851

IUPAC2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)cc2)cc1
InChIInChI=1S/C46H30N2/c1-2-11-31(12-3-1)32-21-25-36(26-22-32)47-43-18-8-6-16-38(43)40-27-23-35(30-46(40)47)34-24-28-45-41(29-34)39-17-7-9-19-44(39)48(45)42-20-10-14-33-13-4-5-15-37(33)42/h1-30H
InChIKeyAXQMWVPTVKHMPT-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.37
Rot. Bonds4

About 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 142356851) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID142356851
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)cc2)cc1
InChIInChI=1S/C46H30N2/c1-2-11-31(12-3-1)32-21-25-36(26-22-32)47-43-18-8-6-16-38(43)40-27-23-35(30-46(40)47)34-24-28-45-41(29-34)39-17-7-9-19-44(39)48(45)42-20-10-14-33-13-4-5-15-37(33)42/h1-30H
InChIKeyAXQMWVPTVKHMPT-UHFFFAOYSA-N
XLogP12.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
5-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160638054
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179733
3-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole;7-naphthalen-1-yl-10-(9-naphthalen-2-ylcarbazol-2-yl)benzo[c]carbazole;9-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 157495680
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 134168605
9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenanthren-9-yl-14-[4-(9-phenylcarbazol-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159135255

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (CID 142356851) is 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)cc2)cc1.
What is the InChIKey of 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is AXQMWVPTVKHMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-2-11-31(12-3-1)32-21-25-36(26-22-32)47-43-18-8-6-16-38(43)40-27-23-35(30-46(40)47)34-24-28-45-41(29-34)39-17-7-9-19-44(39)48(45)42-20-10-14-33-13-4-5-15-37(33)42/h1-30H.
What are the key properties of 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 610.76 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 142356851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).