4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile

C130H87N11P4 — CID 167554849

IUPAC4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile
SMILES[C-]#[N+]C1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC=CC(C#N)=P1(c1ccccc1)c1ccccc1
InChIInChI=1S/2C37H24N3P.C37H26N3P.C19H13N2P/c1-39-37-25-28(23-32(26-38)41(37,30-15-7-3-8-16-30)31-17-9-4-10-18-31)27-21-22-36-34(24-27)33-19-11-12-20-35(33)40(36)29-13-5-2-6-14-29;1-39-37-25-28(24-32(26-38)41(37,30-12-4-2-5-13-30)31-14-6-3-7-15-31)27-20-22-29(23-21-27)40-35-18-10-8-16-33(35)34-17-9-11-19-36(34)40;1-39-37-27-30(26-36(28-38)41(37,34-18-10-4-11-19-34)35-20-12-5-13-21-35)29-22-24-33(25-23-29)40(31-14-6-2-7-15-31)32-16-8-3-9-17-32;1-21-19-14-8-13-18(15-20)22(19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2*2-25H;2-27H;2-14H
InChIKeyCWKDHWORDZHZDY-UHFFFAOYSA-N
MW1927.10 g/mol
LogP28.97
Rot. Bonds16

About 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile

4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile (PubChem CID 167554849) has the molecular formula C130H87N11P4 and a molecular weight of 1927.10 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile
PubChem CID167554849
Molecular FormulaC130H87N11P4
Molecular Weight1927.10 g/mol
Exact Mass1925.61
IUPAC Name4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile
SMILES[C-]#[N+]C1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC=CC(C#N)=P1(c1ccccc1)c1ccccc1
InChIInChI=1S/2C37H24N3P.C37H26N3P.C19H13N2P/c1-39-37-25-28(23-32(26-38)41(37,30-15-7-3-8-16-30)31-17-9-4-10-18-31)27-21-22-36-34(24-27)33-19-11-12-20-35(33)40(36)29-13-5-2-6-14-29;1-39-37-25-28(24-32(26-38)41(37,30-12-4-2-5-13-30)31-14-6-3-7-15-31)27-20-22-29(23-21-27)40-35-18-10-8-16-33(35)34-17-9-11-19-36(34)40;1-39-37-27-30(26-36(28-38)41(37,34-18-10-4-11-19-34)35-20-12-5-13-21-35)29-22-24-33(25-23-29)40(31-14-6-2-7-15-31)32-16-8-3-9-17-32;1-21-19-14-8-13-18(15-20)22(19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2*2-25H;2-27H;2-14H
InChIKeyCWKDHWORDZHZDY-UHFFFAOYSA-N
XLogP28.97
TPSA125.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001927.10
LogP ≤ 528.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile
CID 165156153
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
1-N,4-N-diphenyl-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine;N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]aniline;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;4-[4-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 162131164

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile (CID 167554849) is 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile is [C-]#[N+]C1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=CC(C#N)=P1(c1ccccc1)c1ccccc1.[C-]#[N+]C1=CC=CC(C#N)=P1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile?
The InChIKey is CWKDHWORDZHZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H24N3P.C37H26N3P.C19H13N2P/c1-39-37-25-28(23-32(26-38)41(37,30-15-7-3-8-16-30)31-17-9-4-10-18-31)27-21-22-36-34(24-27)33-19-11-12-20-35(33)40(36)29-13-5-2-6-14-29;1-39-37-25-28(24-32(26-38)41(37,30-12-4-2-5-13-30)31-14-6-3-7-15-31)27-20-22-29(23-21-27)40-35-18-10-8-16-33(35)34-17-9-11-19-36(34)40;1-39-37-27-30(26-36(28-38)41(37,34-18-10-4-11-19-34)35-20-12-5-13-21-35)29-22-24-33(25-23-29)40(31-14-6-2-7-15-31)32-16-8-3-9-17-32;1-21-19-14-8-13-18(15-20)22(19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2*2-25H;2-27H;2-14H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile?
4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile has a molecular weight of 1927.10 g/mol, XLogP of 28.97, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-[4-(N-phenylanilino)phenyl]-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile;6-isocyano-1,1-diphenyl-4-(9-phenylcarbazol-3-yl)-1λ5-phosphacyclohexa-1,3,5-triene-2-carbonitrile is sourced from PubChem (CID 167554849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).