4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile

C50H35N3 — CID 163572335

IUPAC4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c6ccccc6ccc5n(-c5ccc(C#N)cc5)c4c3)cc21
InChIInChI=1S/C50H35N3/c1-50(2)45-15-9-8-14-42(45)43-27-25-39(30-46(43)50)52(37-23-18-35(19-24-37)34-10-4-3-5-11-34)40-26-28-44-48(31-40)53(38-21-16-33(32-51)17-22-38)47-29-20-36-12-6-7-13-41(36)49(44)47/h3-31H,1-2H3
InChIKeyGALRYUBPXMMWQZ-UHFFFAOYSA-N
MW677.85 g/mol
LogP13.25
Rot. Bonds5

About 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile

4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile (PubChem CID 163572335) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
PubChem CID163572335
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC Name4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c6ccccc6ccc5n(-c5ccc(C#N)cc5)c4c3)cc21
InChIInChI=1S/C50H35N3/c1-50(2)45-15-9-8-14-42(45)43-27-25-39(30-46(43)50)52(37-23-18-35(19-24-37)34-10-4-3-5-11-34)40-26-28-44-48(31-40)53(38-21-16-33(32-51)17-22-38)47-29-20-36-12-6-7-13-41(36)49(44)47/h3-31H,1-2H3
InChIKeyGALRYUBPXMMWQZ-UHFFFAOYSA-N
XLogP13.25
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 122659674
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile
CID 160561696
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
4-[N-[6-(4-cyano-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-9-phenylcarbazol-3-yl]-4-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile
CID 59344006
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
N,N-bis(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-ylbenzo[c]carbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine;7-phenyl-N,N-bis(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165076345
4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile;(9,9-dimethylfluoren-2-yl)-phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphane;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 158194444
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine
CID 154965910

Frequently Asked Questions

What is the IUPAC name of 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The IUPAC name of 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile (CID 163572335) is 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile.
What is the SMILES notation for 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The canonical SMILES for 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c6ccccc6ccc5n(-c5ccc(C#N)cc5)c4c3)cc21.
What is the InChIKey of 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
The InChIKey is GALRYUBPXMMWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-50(2)45-15-9-8-14-42(45)43-27-25-39(30-46(43)50)52(37-23-18-35(19-24-37)34-10-4-3-5-11-34)40-26-28-44-48(31-40)53(38-21-16-33(32-51)17-22-38)47-29-20-36-12-6-7-13-41(36)49(44)47/h3-31H,1-2H3.
What are the key properties of 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile?
4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile has a molecular weight of 677.85 g/mol, XLogP of 13.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile is sourced from PubChem (CID 163572335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).