12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole

C89H63N5 — CID 126630713

IUPAC12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)cc5)c5cc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)-c7ccccc7C9(C)C)c6)ccc5n4)cc3)c21
InChIInChI=1S/C89H63N5/c1-87(2)69-28-13-7-25-65(69)79-72(87)46-43-62-59-22-10-16-31-76(59)92(83(62)79)56-39-34-52(35-40-56)82-68-51-55(54-20-19-21-58(50-54)94-78-33-18-12-24-61(78)64-45-48-74-81(85(64)94)67-27-9-15-30-71(67)89(74,5)6)38-49-75(68)90-86(91-82)53-36-41-57(42-37-53)93-77-32-17-11-23-60(77)63-44-47-73-80(84(63)93)66-26-8-14-29-70(66)88(73,3)4/h7-51H,1-6H3
InChIKeyRTEFRAOBJWAHKX-UHFFFAOYSA-N
MW1202.52 g/mol
LogP22.84
Rot. Bonds6

About 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole

12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole (PubChem CID 126630713) has the molecular formula C89H63N5 and a molecular weight of 1202.52 g/mol. Its IUPAC name is 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
PubChem CID126630713
Molecular FormulaC89H63N5
Molecular Weight1202.52 g/mol
Exact Mass1201.51
IUPAC Name12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)cc5)c5cc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)-c7ccccc7C9(C)C)c6)ccc5n4)cc3)c21
InChIInChI=1S/C89H63N5/c1-87(2)69-28-13-7-25-65(69)79-72(87)46-43-62-59-22-10-16-31-76(59)92(83(62)79)56-39-34-52(35-40-56)82-68-51-55(54-20-19-21-58(50-54)94-78-33-18-12-24-61(78)64-45-48-74-81(85(64)94)67-27-9-15-30-71(67)89(74,5)6)38-49-75(68)90-86(91-82)53-36-41-57(42-37-53)93-77-32-17-11-23-60(77)63-44-47-73-80(84(63)93)66-26-8-14-29-70(66)88(73,3)4/h7-51H,1-6H3
InChIKeyRTEFRAOBJWAHKX-UHFFFAOYSA-N
XLogP22.84
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.52
LogP ≤ 522.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole 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

11-[3-[2,6-bis[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[2,4-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[4,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 160929846
7,7-dimethyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 165042893
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
3-(2,4-diphenylquinazolin-6-yl)-21,21-dimethyl-23-oxa-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
CID 118602273
2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805919
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
12-[4-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 130334084
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
18,18-dimethyl-9-phenyl-21-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635654
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444

Frequently Asked Questions

What is the IUPAC name of 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The IUPAC name of 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole (CID 126630713) is 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole.
What is the SMILES notation for 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The canonical SMILES for 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)cc5)c5cc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)-c7ccccc7C9(C)C)c6)ccc5n4)cc3)c21.
What is the InChIKey of 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The InChIKey is RTEFRAOBJWAHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H63N5/c1-87(2)69-28-13-7-25-65(69)79-72(87)46-43-62-59-22-10-16-31-76(59)92(83(62)79)56-39-34-52(35-40-56)82-68-51-55(54-20-19-21-58(50-54)94-78-33-18-12-24-61(78)64-45-48-74-81(85(64)94)67-27-9-15-30-71(67)89(74,5)6)38-49-75(68)90-86(91-82)53-36-41-57(42-37-53)93-77-32-17-11-23-60(77)63-44-47-73-80(84(63)93)66-26-8-14-29-70(66)88(73,3)4/h7-51H,1-6H3.
What are the key properties of 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole has a molecular weight of 1202.52 g/mol, XLogP of 22.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole is sourced from PubChem (CID 126630713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).