2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole

C34H22BrN — CID 90216158

IUPAC2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
SMILESBrc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)c2)c1
InChIInChI=1S/C34H22BrN/c35-29-12-6-11-26(20-29)24-9-5-10-25(19-24)28-16-18-32-31-13-3-4-14-33(31)36(34(32)22-28)30-17-15-23-7-1-2-8-27(23)21-30/h1-22H
InChIKeyMYUOPPJTEWRZDT-UHFFFAOYSA-N
MW524.46 g/mol
LogP10.03
Rot. Bonds3

About 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole

2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole (PubChem CID 90216158) has the molecular formula C34H22BrN and a molecular weight of 524.46 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
PubChem CID90216158
Molecular FormulaC34H22BrN
Molecular Weight524.46 g/mol
Exact Mass523.09
IUPAC Name2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
SMILESBrc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)c2)c1
InChIInChI=1S/C34H22BrN/c35-29-12-6-11-26(20-29)24-9-5-10-25(19-24)28-16-18-32-31-13-3-4-14-33(31)36(34(32)22-28)30-17-15-23-7-1-2-8-27(23)21-30/h1-22H
InChIKeyMYUOPPJTEWRZDT-UHFFFAOYSA-N
XLogP10.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.46
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
CID 118265635
2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole
CID 158059699
9,14-dinaphthalen-2-yl-6-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170927996
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
CID 118289181
14-anthracen-2-yl-9-naphthalen-2-yl-6-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 172545565
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole (CID 90216158) is 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole is Brc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)c2)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole?
The InChIKey is MYUOPPJTEWRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrN/c35-29-12-6-11-26(20-29)24-9-5-10-25(19-24)28-16-18-32-31-13-3-4-14-33(31)36(34(32)22-28)30-17-15-23-7-1-2-8-27(23)21-30/h1-22H.
What are the key properties of 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole?
2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole has a molecular weight of 524.46 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 90216158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).