3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole

About 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole

3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole (PubChem CID 157131930) has the molecular formula C122H86BClN10O2 and a molecular weight of 1770.36 g/mol. Its IUPAC name is 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name	3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole
PubChem CID	157131930
Molecular Formula	C122H86BClN10O2
Molecular Weight	1770.36 g/mol
Exact Mass	1768.67
IUPAC Name	3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole
SMILES	CC1(C)OB(c2ccc3c(c2)c2c4ccn(-c5ccccc5)c4ccc2n3-c2cccc(-c3ccccc3)c2)OC1(C)C.Clc1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2n1.c1ccc(-c2cccc(-n3c4ccc(-c5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccccc6n5)cc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1
InChI	InChI=1S/C58H37N5.C38H33BN2O2.C26H16ClN3/c1-4-15-38(16-5-1)39-17-14-22-44(35-39)63-54-30-28-41(37-49(54)56-47-33-34-61(42-18-6-2-7-19-42)51(47)31-32-55(56)63)58-59-50-25-12-10-24-46(50)57(60-58)40-27-29-53-48(36-40)45-23-11-13-26-52(45)62(53)43-20-8-3-9-21-43;1-37(2)38(3,4)43-39(42-37)28-18-19-34-32(25-28)36-31-22-23-40(29-15-9-6-10-16-29)33(31)20-21-35(36)41(34)30-17-11-14-27(24-30)26-12-7-5-8-13-26;27-26-28-22-12-6-4-11-20(22)25(29-26)17-14-15-24-21(16-17)19-10-5-7-13-23(19)30(24)18-8-2-1-3-9-18/h1-37H;5-25H,1-4H3;1-16H
InChIKey	AJEFBZBQBOPLOB-UHFFFAOYSA-N
XLogP	30.51
TPSA	99.60 Å²
H-Bond Donors
H-Bond Acceptors	12
Rotatable Bonds	12
Heavy Atoms	136
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1770.36
LogP ≤ 5	30.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole?

The IUPAC name of 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole (CID 157131930) is 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole.

What is the SMILES notation for 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole?

The canonical SMILES for 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole is CC1(C)OB(c2ccc3c(c2)c2c4ccn(-c5ccccc5)c4ccc2n3-c2cccc(-c3ccccc3)c2)OC1(C)C.Clc1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2n1.c1ccc(-c2cccc(-n3c4ccc(-c5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccccc6n5)cc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1.

What is the InChIKey of 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole?

The InChIKey is AJEFBZBQBOPLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5.C38H33BN2O2.C26H16ClN3/c1-4-15-38(16-5-1)39-17-14-22-44(35-39)63-54-30-28-41(37-49(54)56-47-33-34-61(42-18-6-2-7-19-42)51(47)31-32-55(56)63)58-59-50-25-12-10-24-46(50)57(60-58)40-27-29-53-48(36-40)45-23-11-13-26-52(45)62(53)43-20-8-3-9-21-43;1-37(2)38(3,4)43-39(42-37)28-18-19-34-32(25-28)36-31-22-23-40(29-15-9-6-10-16-29)33(31)20-21-35(36)41(34)30-17-11-14-27(24-30)26-12-7-5-8-13-26;27-26-28-22-12-6-4-11-20(22)25(29-26)17-14-15-24-21(16-17)19-10-5-7-13-23(19)30(24)18-8-2-1-3-9-18/h1-37H;5-25H,1-4H3;1-16H.

What are the key properties of 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole?

Where does this data come from?

All data for 3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-6-(3-phenylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 157131930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).