7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile

C48H27FN4 — CID 121337810

IUPAC7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc32)nc2cc(F)ccc12
InChIInChI=1S/C48H27FN4/c49-32-20-22-34-31(28-50)25-46(51-42(34)26-32)53-43-17-9-8-16-39(43)47-37-15-7-6-14-36(37)40(27-45(47)53)30-19-23-44-41(24-30)38-21-18-29-10-4-5-13-35(29)48(38)52(44)33-11-2-1-3-12-33/h1-27H
InChIKeySMUALSBBMMWAED-UHFFFAOYSA-N
MW678.77 g/mol
LogP12.41
Rot. Bonds3

About 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile

7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile (PubChem CID 121337810) has the molecular formula C48H27FN4 and a molecular weight of 678.77 g/mol. Its IUPAC name is 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
PubChem CID121337810
Molecular FormulaC48H27FN4
Molecular Weight678.77 g/mol
Exact Mass678.22
IUPAC Name7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc32)nc2cc(F)ccc12
InChIInChI=1S/C48H27FN4/c49-32-20-22-34-31(28-50)25-46(51-42(34)26-32)53-43-17-9-8-16-39(43)47-37-15-7-6-14-36(37)40(27-45(47)53)30-19-23-44-41(24-30)38-21-18-29-10-4-5-13-35(29)48(38)52(44)33-11-2-1-3-12-33/h1-27H
InChIKeySMUALSBBMMWAED-UHFFFAOYSA-N
XLogP12.41
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile with MolForge

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Related Compounds

2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
CID 161057241
2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
CID 121337844
2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile
CID 159941374
2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile;7-phenyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinoline-4-carbonitrile
CID 162050395
2-(3-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)quinoline-4-carbonitrile
CID 121337887
2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile
CID 157146532
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole
CID 71291270
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
7-fluoro-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile;3-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinoline-4-carbonitrile
CID 162228767
2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile
CID 121337865
2-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582345
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile?
The IUPAC name of 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile (CID 121337810) is 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile?
The canonical SMILES for 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile is N#Cc1cc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc32)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile?
The InChIKey is SMUALSBBMMWAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27FN4/c49-32-20-22-34-31(28-50)25-46(51-42(34)26-32)53-43-17-9-8-16-39(43)47-37-15-7-6-14-36(37)40(27-45(47)53)30-19-23-44-41(24-30)38-21-18-29-10-4-5-13-35(29)48(38)52(44)33-11-2-1-3-12-33/h1-27H.
What are the key properties of 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile?
7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile has a molecular weight of 678.77 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[5-(11-phenylbenzo[a]carbazol-8-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 121337810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).