2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile

C40H26N4 — CID 121337914

IUPAC2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(C#N)c4ccccc4n3)cc21
InChIInChI=1S/C40H26N4/c1-40(2)32-13-7-5-11-28(32)29-18-15-26(22-33(29)40)25-17-19-36-31(21-25)38-27-10-4-3-9-24(27)16-20-37(38)44(36)39-42-34-14-8-6-12-30(34)35(23-41)43-39/h3-22H,1-2H3
InChIKeyBPNWOMRLVDNGCO-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.73
Rot. Bonds2

About 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile

2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile (PubChem CID 121337914) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
PubChem CID121337914
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(C#N)c4ccccc4n3)cc21
InChIInChI=1S/C40H26N4/c1-40(2)32-13-7-5-11-28(32)29-18-15-26(22-33(29)40)25-17-19-36-31(21-25)38-27-10-4-3-9-24(27)16-20-37(38)44(36)39-42-34-14-8-6-12-30(34)35(23-41)43-39/h3-22H,1-2H3
InChIKeyBPNWOMRLVDNGCO-UHFFFAOYSA-N
XLogP9.73
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile
CID 158511731
2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
CID 121337949
10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylpyrrolo[2,3-f]quinazolin-7-yl)benzo[c]carbazole
CID 131998610
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
10-(9,9-dimethylfluoren-2-yl)-7-(1,2,9-triphenylimidazo[4,5-f]quinazolin-7-yl)benzo[c]carbazole
CID 131998849
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
9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853803
5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile
CID 153462509
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
23-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 157051523
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
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile (CID 121337914) is 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(C#N)c4ccccc4n3)cc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile?
The InChIKey is BPNWOMRLVDNGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-40(2)32-13-7-5-11-28(32)29-18-15-26(22-33(29)40)25-17-19-36-31(21-25)38-27-10-4-3-9-24(27)16-20-37(38)44(36)39-42-34-14-8-6-12-30(34)35(23-41)43-39/h3-22H,1-2H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile?
2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile has a molecular weight of 562.68 g/mol, XLogP of 9.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile is sourced from PubChem (CID 121337914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).