1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole

C108H69BrN4O2 — CID 158258315

IUPAC1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
SMILESBrc1cccc(-c2ccccc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccc8c9ccccc9oc8c7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C54H34N2O.C42H26N2O.C12H9Br/c1-3-13-35(14-4-1)37-17-11-19-41(31-37)55-48-23-9-7-21-43(48)46-33-39(25-28-49(46)55)40-26-29-50-47(34-40)53-51(30-27-45-44-22-8-10-24-52(44)57-54(45)53)56(50)42-20-12-18-38(32-42)36-15-5-2-6-16-36;1-2-9-26(10-3-1)27-11-8-12-30(23-27)44-38-15-6-4-13-31(38)34-24-29(18-22-39(34)44)28-17-20-36-35(25-28)41-37(43-36)21-19-33-32-14-5-7-16-40(32)45-42(33)41;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-34H;1-25,43H;1-9H
InChIKeyGHODCVPYHUNPEQ-UHFFFAOYSA-N
MW1534.67 g/mol
LogP30.55
Rot. Bonds9

About 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole

1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 158258315) has the molecular formula C108H69BrN4O2 and a molecular weight of 1534.67 g/mol. Its IUPAC name is 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID158258315
Molecular FormulaC108H69BrN4O2
Molecular Weight1534.67 g/mol
Exact Mass1532.46
IUPAC Name1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
SMILESBrc1cccc(-c2ccccc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccc8c9ccccc9oc8c7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C54H34N2O.C42H26N2O.C12H9Br/c1-3-13-35(14-4-1)37-17-11-19-41(31-37)55-48-23-9-7-21-43(48)46-33-39(25-28-49(46)55)40-26-29-50-47(34-40)53-51(30-27-45-44-22-8-10-24-52(44)57-54(45)53)56(50)42-20-12-18-38(32-42)36-15-5-2-6-16-36;1-2-9-26(10-3-1)27-11-8-12-30(23-27)44-38-15-6-4-13-31(38)34-24-29(18-22-39(34)44)28-17-20-36-35(25-28)41-37(43-36)21-19-33-32-14-5-7-16-40(32)45-42(33)41;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-34H;1-25,43H;1-9H
InChIKeyGHODCVPYHUNPEQ-UHFFFAOYSA-N
XLogP30.55
TPSA56.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001534.67
LogP ≤ 530.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5H-benzofuro[3,2-c]carbazole
CID 66585341
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
CID 129291104
3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(2-fluoro-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 129291264
2-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[4-(9-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129291268
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498898
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498944
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498984
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499005
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499465
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499720
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499750

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole (CID 158258315) is 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole is Brc1cccc(-c2ccccc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccc8c9ccccc9oc8c7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.
What is the InChIKey of 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is GHODCVPYHUNPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O.C42H26N2O.C12H9Br/c1-3-13-35(14-4-1)37-17-11-19-41(31-37)55-48-23-9-7-21-43(48)46-33-39(25-28-49(46)55)40-26-29-50-47(34-40)53-51(30-27-45-44-22-8-10-24-52(44)57-54(45)53)56(50)42-20-12-18-38(32-42)36-15-5-2-6-16-36;1-2-9-26(10-3-1)27-11-8-12-30(23-27)44-38-15-6-4-13-31(38)34-24-29(18-22-39(34)44)28-17-20-36-35(25-28)41-37(43-36)21-19-33-32-14-5-7-16-40(32)45-42(33)41;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-34H;1-25,43H;1-9H.
What are the key properties of 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole?
1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1534.67 g/mol, XLogP of 30.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenylbenzene;2-[9-(3-phenylphenyl)carbazol-3-yl]-5H-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 158258315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).