9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine

C80H56BBrN4O2 — CID 159744532

IUPAC9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC1(C)OB(c2ccc3ccc4c5ncccc5cc5ccc2c3c54)OC1(C)C.c1cnc2c(c1)cc1ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc4ccc2c1c43
InChIInChI=1S/C37H22N2.C25H22BNO2.C18H12BrN/c1-3-9-33-29(7-1)30-8-2-4-10-34(30)39(33)27-16-11-23(12-17-27)28-18-13-24-14-20-32-36-25(15-19-31(28)35(24)36)22-26-6-5-21-38-37(26)32;1-24(2)25(3,4)29-26(28-24)20-12-9-15-7-11-19-22-16(8-10-18(20)21(15)22)14-17-6-5-13-27-23(17)19;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-22H;5-14H,1-4H3;1-12H
InChIKeyNCWLMVMTYLHDRQ-UHFFFAOYSA-N
MW1196.07 g/mol
LogP20.87
Rot. Bonds4

About 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine

9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine (PubChem CID 159744532) has the molecular formula C80H56BBrN4O2 and a molecular weight of 1196.07 g/mol. Its IUPAC name is 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine.

Molecular Properties

Compound Name9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine
PubChem CID159744532
Molecular FormulaC80H56BBrN4O2
Molecular Weight1196.07 g/mol
Exact Mass1194.37
IUPAC Name9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC1(C)OB(c2ccc3ccc4c5ncccc5cc5ccc2c3c54)OC1(C)C.c1cnc2c(c1)cc1ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc4ccc2c1c43
InChIInChI=1S/C37H22N2.C25H22BNO2.C18H12BrN/c1-3-9-33-29(7-1)30-8-2-4-10-34(30)39(33)27-16-11-23(12-17-27)28-18-13-24-14-20-32-36-25(15-19-31(28)35(24)36)22-26-6-5-21-38-37(26)32;1-24(2)25(3,4)29-26(28-24)20-12-9-15-7-11-19-22-16(8-10-18(20)21(15)22)14-17-6-5-13-27-23(17)19;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-22H;5-14H,1-4H3;1-12H
InChIKeyNCWLMVMTYLHDRQ-UHFFFAOYSA-N
XLogP20.87
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.07
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-6-phenylpyrene;1,4-dibromobenzene;4,4,5,5-tetramethyl-2-(6-phenylpyren-1-yl)-1,3,2-dioxaborolane
CID 158526891
1-phenylpyreno[1,2-b]pyridine
CID 89296855
5-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 142725070
2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline
CID 158075501
9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 135130279
9-[4-[6-(2-methyliodanuidyl-5-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 163925841
12-(4-carbazol-9-ylphenyl)naphtho[2,1-f]quinoline
CID 89341993
9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
1,6-bis[4-[(E)-2-(4-butylphenyl)ethenyl]phenyl]pyrene;1-bromo-4-[(E)-2-(4-butylphenyl)ethenyl]benzene;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-1-yl]-1,3,2-dioxaborolane
CID 161202085
9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile
CID 159624668
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
2-[6-(9,9-dimethylfluoren-2-yl)pyren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88889202

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine?
The IUPAC name of 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine (CID 159744532) is 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine.
What is the SMILES notation for 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine?
The canonical SMILES for 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC1(C)OB(c2ccc3ccc4c5ncccc5cc5ccc2c3c54)OC1(C)C.c1cnc2c(c1)cc1ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc4ccc2c1c43.
What is the InChIKey of 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine?
The InChIKey is NCWLMVMTYLHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2.C25H22BNO2.C18H12BrN/c1-3-9-33-29(7-1)30-8-2-4-10-34(30)39(33)27-16-11-23(12-17-27)28-18-13-24-14-20-32-36-25(15-19-31(28)35(24)36)22-26-6-5-21-38-37(26)32;1-24(2)25(3,4)29-26(28-24)20-12-9-15-7-11-19-22-16(8-10-18(20)21(15)22)14-17-6-5-13-27-23(17)19;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-22H;5-14H,1-4H3;1-12H.
What are the key properties of 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine?
9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine has a molecular weight of 1196.07 g/mol, XLogP of 20.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)carbazole;3-(4-carbazol-9-ylphenyl)pyreno[1,2-b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine is sourced from PubChem (CID 159744532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).