1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C59H39N3 — CID 146542508

IUPAC1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3ccc(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c4ccccc34)cc21
InChIInChI=1S/C59H39N3/c1-59(2)50-26-11-9-21-43(50)44-30-29-39(34-51(44)59)41-24-14-28-54-56(41)49-33-37-16-3-4-17-38(37)35-55(49)62(54)53-32-31-47(42-20-7-8-22-45(42)53)58-60-52-27-12-10-23-48(52)57(61-58)46-25-13-18-36-15-5-6-19-40(36)46/h3-35H,1-2H3
InChIKeyZOORUZOEJWXHNI-UHFFFAOYSA-N
MW789.98 g/mol
LogP15.49
Rot. Bonds4

About 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146542508) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID146542508
Molecular FormulaC59H39N3
Molecular Weight789.98 g/mol
Exact Mass789.31
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3ccc(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c4ccccc34)cc21
InChIInChI=1S/C59H39N3/c1-59(2)50-26-11-9-21-43(50)44-30-29-39(34-51(44)59)41-24-14-28-54-56(41)49-33-37-16-3-4-17-38(37)35-55(49)62(54)53-32-31-47(42-20-7-8-22-45(42)53)58-60-52-27-12-10-23-48(52)57(61-58)46-25-13-18-36-15-5-6-19-40(36)46/h3-35H,1-2H3
InChIKeyZOORUZOEJWXHNI-UHFFFAOYSA-N
XLogP15.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139362236
5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603721
9-carbazol-9-yl-5-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole;9-carbazol-9-yl-5-[4-(4-phenanthren-3-ylquinazolin-2-yl)phenyl]benzo[b]carbazole;9-carbazol-9-yl-5-[5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 158401705
12-[4-(2-naphthalen-2-ylquinazolin-4-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361746
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375469
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 160512960
1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146539955
1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375191
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702
5-[4-(9,9,10,10-tetramethylphenanthren-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 170259879

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146542508) is 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3ccc(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c4ccccc34)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is ZOORUZOEJWXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-59(2)50-26-11-9-21-43(50)44-30-29-39(34-51(44)59)41-24-14-28-54-56(41)49-33-37-16-3-4-17-38(37)35-55(49)62(54)53-32-31-47(42-20-7-8-22-45(42)53)58-60-52-27-12-10-23-48(52)57(61-58)46-25-13-18-36-15-5-6-19-40(36)46/h3-35H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 789.98 g/mol, XLogP of 15.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146542508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).