5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole

C101H63N7O — CID 126632768

IUPAC5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5nc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)c(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)nc5c4)c3cc21
InChIInChI=1S/C101H63N7O/c1-101(2)83-31-15-9-25-69(83)77-58-81-73-29-12-18-34-89(73)106(96(81)59-84(77)101)68-43-46-85-86(57-68)103-100(99(102-85)107-90-35-19-13-28-72(90)80-51-60(41-49-93(80)107)63-42-50-98-82(54-63)76-30-14-20-36-97(76)109-98)108-94-55-64(61-39-47-91-78(52-61)70-26-10-16-32-87(70)104(91)66-21-5-3-6-22-66)37-44-74(94)75-45-38-65(56-95(75)108)62-40-48-92-79(53-62)71-27-11-17-33-88(71)105(92)67-23-7-4-8-24-67/h3-59H,1-2H3
InChIKeyHNMQXOVLDXKRRH-UHFFFAOYSA-N
MW1390.66 g/mol
LogP26.32
Rot. Bonds8

About 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 126632768) has the molecular formula C101H63N7O and a molecular weight of 1390.66 g/mol. Its IUPAC name is 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID126632768
Molecular FormulaC101H63N7O
Molecular Weight1390.66 g/mol
Exact Mass1389.51
IUPAC Name5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5nc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)c(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)nc5c4)c3cc21
InChIInChI=1S/C101H63N7O/c1-101(2)83-31-15-9-25-69(83)77-58-81-73-29-12-18-34-89(73)106(96(81)59-84(77)101)68-43-46-85-86(57-68)103-100(99(102-85)107-90-35-19-13-28-72(90)80-51-60(41-49-93(80)107)63-42-50-98-82(54-63)76-30-14-20-36-97(76)109-98)108-94-55-64(61-39-47-91-78(52-61)70-26-10-16-32-87(70)104(91)66-21-5-3-6-22-66)37-44-74(94)75-45-38-65(56-95(75)108)62-40-48-92-79(53-62)71-27-11-17-33-88(71)105(92)67-23-7-4-8-24-67/h3-59H,1-2H3
InChIKeyHNMQXOVLDXKRRH-UHFFFAOYSA-N
XLogP26.32
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001390.66
LogP ≤ 526.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]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

5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632809
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632822
8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223350
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 126632768) is 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5nc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)c(-n6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)nc5c4)c3cc21.
What is the InChIKey of 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is HNMQXOVLDXKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H63N7O/c1-101(2)83-31-15-9-25-69(83)77-58-81-73-29-12-18-34-89(73)106(96(81)59-84(77)101)68-43-46-85-86(57-68)103-100(99(102-85)107-90-35-19-13-28-72(90)80-51-60(41-49-93(80)107)63-42-50-98-82(54-63)76-30-14-20-36-97(76)109-98)108-94-55-64(61-39-47-91-78(52-61)70-26-10-16-32-87(70)104(91)66-21-5-3-6-22-66)37-44-74(94)75-45-38-65(56-95(75)108)62-40-48-92-79(53-62)71-27-11-17-33-88(71)105(92)67-23-7-4-8-24-67/h3-59H,1-2H3.
What are the key properties of 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1390.66 g/mol, XLogP of 26.32, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 126632768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).