10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole

C58H39N5 — CID 131998849

IUPAC10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)c4c(ccc5nc(-c6ccccc6)n(-c6ccccc6)c54)n3)cc21
InChIInChI=1S/C58H39N5/c1-58(2)46-25-15-14-24-43(46)44-29-26-40(35-47(44)58)39-28-32-50-45(34-39)52-42-23-13-12-16-36(42)27-33-51(52)63(50)57-60-48-30-31-49-55(53(48)54(61-57)37-17-6-3-7-18-37)62(41-21-10-5-11-22-41)56(59-49)38-19-8-4-9-20-38/h3-35H,1-2H3
InChIKeyDQBCXJMCTQONSF-UHFFFAOYSA-N
MW805.99 g/mol
LogP14.53
Rot. Bonds5

About 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole

10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole (PubChem CID 131998849) has the molecular formula C58H39N5 and a molecular weight of 805.99 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole
PubChem CID131998849
Molecular FormulaC58H39N5
Molecular Weight805.99 g/mol
Exact Mass805.32
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)c4c(ccc5nc(-c6ccccc6)n(-c6ccccc6)c54)n3)cc21
InChIInChI=1S/C58H39N5/c1-58(2)46-25-15-14-24-43(46)44-29-26-40(35-47(44)58)39-28-32-50-45(34-39)52-42-23-13-12-16-36(42)27-33-51(52)63(50)57-60-48-30-31-49-55(53(48)54(61-57)37-17-6-3-7-18-37)62(41-21-10-5-11-22-41)56(59-49)38-19-8-4-9-20-38/h3-35H,1-2H3
InChIKeyDQBCXJMCTQONSF-UHFFFAOYSA-N
XLogP14.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.99
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylpyrrolo[2,3-f]quinazolin-7-yl)benzo[c]carbazole
CID 131998610
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-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
CID 121337914
7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
CID 131998839
2-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-carbazol-9-yl-7-quinazolin-2-ylbenzo[c]carbazole;7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 158731806
3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
CID 159795673
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
9-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 149090484
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
9-phenyl-5-[9-(1-phenylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301130
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole (CID 131998849) is 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)c4c(ccc5nc(-c6ccccc6)n(-c6ccccc6)c54)n3)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole?
The InChIKey is DQBCXJMCTQONSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5/c1-58(2)46-25-15-14-24-43(46)44-29-26-40(35-47(44)58)39-28-32-50-45(34-39)52-42-23-13-12-16-36(42)27-33-51(52)63(50)57-60-48-30-31-49-55(53(48)54(61-57)37-17-6-3-7-18-37)62(41-21-10-5-11-22-41)56(59-49)38-19-8-4-9-20-38/h3-35H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole?
10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole has a molecular weight of 805.99 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole is sourced from PubChem (CID 131998849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).