(4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole

C76H55B2BrN4 — CID 161358553

IUPAC(4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole
SMILESBrc1ccc(B(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1.c1ccc(B(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)cc2)cc1
InChIInChI=1S/C38H27BN2.C20H14N2.C18H14BBr/c1-4-12-29(13-5-1)39(30-14-6-2-7-15-30)31-21-23-33(24-22-31)41-36-19-11-10-18-34(36)35-25-20-28-26-27-40(37(28)38(35)41)32-16-8-3-9-17-32;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22;20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-27H;1-13,21H;1-14H
InChIKeyVOWDDZMSIAOWKC-UHFFFAOYSA-N
MW1125.83 g/mol
LogP15.47
Rot. Bonds9

About (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole

(4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole (PubChem CID 161358553) has the molecular formula C76H55B2BrN4 and a molecular weight of 1125.83 g/mol. Its IUPAC name is (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name(4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole
PubChem CID161358553
Molecular FormulaC76H55B2BrN4
Molecular Weight1125.83 g/mol
Exact Mass1124.38
IUPAC Name(4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole
SMILESBrc1ccc(B(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1.c1ccc(B(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)cc2)cc1
InChIInChI=1S/C38H27BN2.C20H14N2.C18H14BBr/c1-4-12-29(13-5-1)39(30-14-6-2-7-15-30)31-21-23-33(24-22-31)41-36-19-11-10-18-34(36)35-25-20-28-26-27-40(37(28)38(35)41)32-16-8-3-9-17-32;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22;20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-27H;1-13,21H;1-14H
InChIKeyVOWDDZMSIAOWKC-UHFFFAOYSA-N
XLogP15.47
TPSA30.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.83
LogP ≤ 515.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole with MolForge

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Related Compounds

3-(4-bromophenyl)pyridine;1-phenyl-10-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;1-phenyl-10H-pyrrolo[2,3-a]carbazole
CID 161092748
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
1-(3,5-diphenylphenyl)-10-[4-[4-[1-(3,5-diphenylphenyl)pyrrolo[2,3-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[2,3-a]carbazole
CID 90090913
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90090897
12-[4-(4-carbazol-9-ylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 88887877
5-bromo-2-phenylpyridine;3-(4-naphthalen-1-ylphenyl)-16-(6-phenyl-3-pyridinyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene;3-(4-naphthalen-1-ylphenyl)-3,13,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
CID 159527806
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The IUPAC name of (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole (CID 161358553) is (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole.
What is the SMILES notation for (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The canonical SMILES for (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole is Brc1ccc(B(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3ccc4c5ccccc5[nH]c4c32)cc1.c1ccc(B(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole?
The InChIKey is VOWDDZMSIAOWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27BN2.C20H14N2.C18H14BBr/c1-4-12-29(13-5-1)39(30-14-6-2-7-15-30)31-21-23-33(24-22-31)41-36-19-11-10-18-34(36)35-25-20-28-26-27-40(37(28)38(35)41)32-16-8-3-9-17-32;1-2-6-15(7-3-1)22-13-12-14-10-11-17-16-8-4-5-9-18(16)21-19(17)20(14)22;20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-27H;1-13,21H;1-14H.
What are the key properties of (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole?
(4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole has a molecular weight of 1125.83 g/mol, XLogP of 15.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-diphenylborane;diphenyl-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]borane;1-phenyl-10H-pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 161358553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).