10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole

C57H42N4 — CID 66807364

IUPAC10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4c(c5cc(C6=CC7c8c(ccc9ccccc89)N(c8nc(-c9ccccc9)c9ccccc9n8)C7C=C6)ccc53)CCC=C4)cc21
InChIInChI=1S/C57H42N4/c1-57(2)47-21-11-8-18-41(47)42-28-27-39(34-48(42)57)60-50-23-13-10-19-43(50)45-32-37(25-29-51(45)60)38-26-30-52-46(33-38)54-40-17-7-6-14-35(40)24-31-53(54)61(52)56-58-49-22-12-9-20-44(49)55(59-56)36-15-4-3-5-16-36/h3-9,11-18,20-34,46,52H,10,19H2,1-2H3
InChIKeyHFDYVIAFRKQRLB-UHFFFAOYSA-N
MW782.99 g/mol
LogP13.92
Rot. Bonds4

About 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole

10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole (PubChem CID 66807364) has the molecular formula C57H42N4 and a molecular weight of 782.99 g/mol. Its IUPAC name is 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole.

Molecular Properties

Compound Name10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole
PubChem CID66807364
Molecular FormulaC57H42N4
Molecular Weight782.99 g/mol
Exact Mass782.34
IUPAC Name10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4c(c5cc(C6=CC7c8c(ccc9ccccc89)N(c8nc(-c9ccccc9)c9ccccc9n8)C7C=C6)ccc53)CCC=C4)cc21
InChIInChI=1S/C57H42N4/c1-57(2)47-21-11-8-18-41(47)42-28-27-39(34-48(42)57)60-50-23-13-10-19-43(50)45-32-37(25-29-51(45)60)38-26-30-52-46(33-38)54-40-17-7-6-14-35(40)24-31-53(54)61(52)56-58-49-22-12-9-20-44(49)55(59-56)36-15-4-3-5-16-36/h3-9,11-18,20-34,46,52H,10,19H2,1-2H3
InChIKeyHFDYVIAFRKQRLB-UHFFFAOYSA-N
XLogP13.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[6-(1,2-dihydrodibenzothiophen-2-yl)-9-phenyl-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole
CID 66807529
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 118637348
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline
CID 137437900
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
9-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-(1,2,5,6-tetrahydrocarbazol-9-yl)anthracen-2-yl]-3,4-dihydrocarbazole
CID 89110828
6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
CID 144579160
10-phenyl-3-[4-[9-(4-phenylquinazolin-2-yl)-5,6-dihydrocarbazol-3-yl]phenyl]phenothiazine
CID 134475861
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline
CID 118507114
10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole
CID 131998849

Frequently Asked Questions

What is the IUPAC name of 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole?
The IUPAC name of 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole (CID 66807364) is 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole.
What is the SMILES notation for 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole?
The canonical SMILES for 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4c(c5cc(C6=CC7c8c(ccc9ccccc89)N(c8nc(-c9ccccc9)c9ccccc9n8)C7C=C6)ccc53)CCC=C4)cc21.
What is the InChIKey of 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole?
The InChIKey is HFDYVIAFRKQRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4/c1-57(2)47-21-11-8-18-41(47)42-28-27-39(34-48(42)57)60-50-23-13-10-19-43(50)45-32-37(25-29-51(45)60)38-26-30-52-46(33-38)54-40-17-7-6-14-35(40)24-31-53(54)61(52)56-58-49-22-12-9-20-44(49)55(59-56)36-15-4-3-5-16-36/h3-9,11-18,20-34,46,52H,10,19H2,1-2H3.
What are the key properties of 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole?
10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole has a molecular weight of 782.99 g/mol, XLogP of 13.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole is sourced from PubChem (CID 66807364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).