5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile

C47H28N4 — CID 166751204

IUPAC5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-n2c3c(c4cc(N(c5ccccc5)c5ccccc5)ccc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C47H28N4/c48-29-31-25-32(30-49)27-36(26-31)51-44-24-23-35(50(33-13-3-1-4-14-33)34-15-5-2-6-16-34)28-40(44)45-46(51)39-19-9-12-22-43(39)47(45)41-20-10-7-17-37(41)38-18-8-11-21-42(38)47/h1-28H
InChIKeyWWWSIXZLDPKHHJ-UHFFFAOYSA-N
MW648.77 g/mol
LogP11.19
Rot. Bonds4

About 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile

5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile (PubChem CID 166751204) has the molecular formula C47H28N4 and a molecular weight of 648.77 g/mol. Its IUPAC name is 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile
PubChem CID166751204
Molecular FormulaC47H28N4
Molecular Weight648.77 g/mol
Exact Mass648.23
IUPAC Name5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-n2c3c(c4cc(N(c5ccccc5)c5ccccc5)ccc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C47H28N4/c48-29-31-25-32(30-49)27-36(26-31)51-44-24-23-35(50(33-13-3-1-4-14-33)34-15-5-2-6-16-34)28-40(44)45-46(51)39-19-9-12-22-43(39)47(45)41-20-10-7-17-37(41)38-18-8-11-21-42(38)47/h1-28H
InChIKeyWWWSIXZLDPKHHJ-UHFFFAOYSA-N
XLogP11.19
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
CID 154936409
5-[3-(N-phenylanilino)-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418356
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
N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
CID 154936555
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
4-[(9,9-diphenylfluoren-2-yl)-[6-(N-(9,9-diphenylfluoren-2-yl)-4-isocyanoanilino)-9-phenylcarbazol-3-yl]amino]benzonitrile
CID 123836837
N-(9,9-diphenylfluoren-2-yl)-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine;4-[(9,9-diphenylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160678187
2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
CID 154936458
3-(N-[17'-(N-(3-cyanophenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-yl]anilino)benzonitrile
CID 137494744
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)anilino)benzonitrile
CID 70885552
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
CID 134451097
CID 134451097

Frequently Asked Questions

What is the IUPAC name of 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile (CID 166751204) is 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-n2c3c(c4cc(N(c5ccccc5)c5ccccc5)ccc42)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile?
The InChIKey is WWWSIXZLDPKHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4/c48-29-31-25-32(30-49)27-36(26-31)51-44-24-23-35(50(33-13-3-1-4-14-33)34-15-5-2-6-16-34)28-40(44)45-46(51)39-19-9-12-22-43(39)47(45)41-20-10-7-17-37(41)38-18-8-11-21-42(38)47/h1-28H.
What are the key properties of 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile?
5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile has a molecular weight of 648.77 g/mol, XLogP of 11.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166751204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).