2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole

C40H26BrN — CID 118349518

IUPAC2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole
SMILESBrc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2ccc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C40H26BrN/c41-31-24-29(23-30(25-31)34-22-21-33(27-11-3-1-4-12-27)35-15-7-8-16-36(34)35)28-19-20-38-37-17-9-10-18-39(37)42(40(38)26-28)32-13-5-2-6-14-32/h1-26H
InChIKeyHHYSJDPCTPAOED-UHFFFAOYSA-N
MW600.56 g/mol
LogP11.70
Rot. Bonds4

About 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole

2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole (PubChem CID 118349518) has the molecular formula C40H26BrN and a molecular weight of 600.56 g/mol. Its IUPAC name is 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole
PubChem CID118349518
Molecular FormulaC40H26BrN
Molecular Weight600.56 g/mol
Exact Mass599.12
IUPAC Name2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole
SMILESBrc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2ccc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C40H26BrN/c41-31-24-29(23-30(25-31)34-22-21-33(27-11-3-1-4-12-27)35-15-7-8-16-36(34)35)28-19-20-38-37-17-9-10-18-39(37)42(40(38)26-28)32-13-5-2-6-14-32/h1-26H
InChIKeyHHYSJDPCTPAOED-UHFFFAOYSA-N
XLogP11.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.56
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole
CID 118682582
2-[4-(3-bromophenyl)-2-phenylphenyl]-9-phenylcarbazole
CID 118265965
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
CID 118289181
2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 118337067
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
2-[3-(4-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;methanethiol
CID 144896905

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole (CID 118349518) is 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole is Brc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2ccc(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole?
The InChIKey is HHYSJDPCTPAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26BrN/c41-31-24-29(23-30(25-31)34-22-21-33(27-11-3-1-4-12-27)35-15-7-8-16-36(34)35)28-19-20-38-37-17-9-10-18-39(37)42(40(38)26-28)32-13-5-2-6-14-32/h1-26H.
What are the key properties of 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole?
2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole has a molecular weight of 600.56 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 118349518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).