2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole

C72H46Br2N2 — CID 144892729

IUPAC2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole
SMILESBrc1cccc(-c2ccc(-c3ccc4c5ccc(-c6cccc(-c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7-c7ccccc7)c6Br)cc5n(-c5ccccc5)c4c3)cc2-c2ccccc2)c1
InChIInChI=1S/C72H46Br2N2/c73-55-22-15-21-53(41-55)58-36-31-49(42-66(58)47-17-5-1-6-18-47)52-34-39-63-64-40-35-54(46-71(64)76(70(63)45-52)57-25-11-4-12-26-57)59-28-16-29-65(72(59)74)60-37-32-50(43-67(60)48-19-7-2-8-20-48)51-33-38-62-61-27-13-14-30-68(61)75(69(62)44-51)56-23-9-3-10-24-56/h1-46H
InChIKeyAVRLYBGJRGZSCF-UHFFFAOYSA-N
MW1098.98 g/mol
LogP21.07
Rot. Bonds9

About 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole

2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole (PubChem CID 144892729) has the molecular formula C72H46Br2N2 and a molecular weight of 1098.98 g/mol. Its IUPAC name is 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole
PubChem CID144892729
Molecular FormulaC72H46Br2N2
Molecular Weight1098.98 g/mol
Exact Mass1096.20
IUPAC Name2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole
SMILESBrc1cccc(-c2ccc(-c3ccc4c5ccc(-c6cccc(-c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7-c7ccccc7)c6Br)cc5n(-c5ccccc5)c4c3)cc2-c2ccccc2)c1
InChIInChI=1S/C72H46Br2N2/c73-55-22-15-21-53(41-55)58-36-31-49(42-66(58)47-17-5-1-6-18-47)52-34-39-63-64-40-35-54(46-71(64)76(70(63)45-52)57-25-11-4-12-26-57)59-28-16-29-65(72(59)74)60-37-32-50(43-67(60)48-19-7-2-8-20-48)51-33-38-62-61-27-13-14-30-68(61)75(69(62)44-51)56-23-9-3-10-24-56/h1-46H
InChIKeyAVRLYBGJRGZSCF-UHFFFAOYSA-N
XLogP21.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001098.98
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-bromophenyl)-2-phenylphenyl]-9-phenylcarbazole
CID 118265965
2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 118337067
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole
CID 118349518
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
CID 118289181
2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole
CID 118265947
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
2-[3-(2-bromophenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 90216170
2-[3-(3-bromophenyl)phenyl]-6,9-diphenylcarbazole
CID 90216159
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 142315018

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole?
The IUPAC name of 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole (CID 144892729) is 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole is Brc1cccc(-c2ccc(-c3ccc4c5ccc(-c6cccc(-c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7-c7ccccc7)c6Br)cc5n(-c5ccccc5)c4c3)cc2-c2ccccc2)c1.
What is the InChIKey of 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole?
The InChIKey is AVRLYBGJRGZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46Br2N2/c73-55-22-15-21-53(41-55)58-36-31-49(42-66(58)47-17-5-1-6-18-47)52-34-39-63-64-40-35-54(46-71(64)76(70(63)45-52)57-25-11-4-12-26-57)59-28-16-29-65(72(59)74)60-37-32-50(43-67(60)48-19-7-2-8-20-48)51-33-38-62-61-27-13-14-30-68(61)75(69(62)44-51)56-23-9-3-10-24-56/h1-46H.
What are the key properties of 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole?
2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole has a molecular weight of 1098.98 g/mol, XLogP of 21.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 144892729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).