N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine

C110H74F2N8 — CID 161070068

IUPACN,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine
SMILESFc1ccc(N(c2ccc(F)cc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccccc2)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccccc2)cc1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1cc2c3ccccc3n(-c3ccccc3)c2cc1-c1ccccc1
InChIInChI=1S/2C37H25N3.C36H24F2N2/c1-38-33-22-12-14-24-35(33)40(29-19-9-4-10-20-29)36-26-32-30-21-11-13-23-34(30)39(28-17-7-3-8-18-28)37(32)25-31(36)27-15-5-2-6-16-27;1-38-28-21-23-31(24-22-28)39(29-15-7-3-8-16-29)36-26-34-32-19-11-12-20-35(32)40(30-17-9-4-10-18-30)37(34)25-33(36)27-13-5-2-6-14-27;37-26-15-19-29(20-16-26)39(30-21-17-27(38)18-22-30)35-24-33-31-13-7-8-14-34(31)40(28-11-5-2-6-12-28)36(33)23-32(35)25-9-3-1-4-10-25/h2*2-26H;1-24H
InChIKeyUENSTBLZYXCWHD-UHFFFAOYSA-N
MW1545.85 g/mol
LogP31.14
Rot. Bonds15

About N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine

N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine (PubChem CID 161070068) has the molecular formula C110H74F2N8 and a molecular weight of 1545.85 g/mol. Its IUPAC name is N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine.

Molecular Properties

Compound NameN,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine
PubChem CID161070068
Molecular FormulaC110H74F2N8
Molecular Weight1545.85 g/mol
Exact Mass1544.60
IUPAC NameN,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine
SMILESFc1ccc(N(c2ccc(F)cc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccccc2)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccccc2)cc1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1cc2c3ccccc3n(-c3ccccc3)c2cc1-c1ccccc1
InChIInChI=1S/2C37H25N3.C36H24F2N2/c1-38-33-22-12-14-24-35(33)40(29-19-9-4-10-20-29)36-26-32-30-21-11-13-23-34(30)39(28-17-7-3-8-18-28)37(32)25-31(36)27-15-5-2-6-16-27;1-38-28-21-23-31(24-22-28)39(29-15-7-3-8-16-29)36-26-34-32-19-11-12-20-35(32)40(30-17-9-4-10-18-30)37(34)25-33(36)27-13-5-2-6-14-27;37-26-15-19-29(20-16-26)39(30-21-17-27(38)18-22-30)35-24-33-31-13-7-8-14-34(31)40(28-11-5-2-6-12-28)36(33)23-32(35)25-9-3-1-4-10-25/h2*2-26H;1-24H
InChIKeyUENSTBLZYXCWHD-UHFFFAOYSA-N
XLogP31.14
TPSA33.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001545.85
LogP ≤ 531.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine with MolForge

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Related Compounds

2-(4-fluorophenyl)-N,N,9-triphenylcarbazol-3-amine
CID 155051741
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline
CID 155051690
N-[4-[4-(4-fluoro-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino)naphthalen-1-yl]phenyl]-N,9-bis(4-fluorophenyl)carbazol-3-amine;4-[[9-(4-fluorophenyl)carbazol-3-yl]-[4-[4-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;9-(4-fluorophenyl)-N-[4-[4-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine
CID 159855027
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;5-(9-phenylcarbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N,3-N-tris(4-methylphenyl)-1-N-phenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 159393254
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
N-[9,10-bis(2-isocyanophenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
CID 59211069
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine
CID 123647373
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine?
The IUPAC name of N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine (CID 161070068) is N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine.
What is the SMILES notation for N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine?
The canonical SMILES for N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine is Fc1ccc(N(c2ccc(F)cc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccccc2)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccccc2)cc1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1cc2c3ccccc3n(-c3ccccc3)c2cc1-c1ccccc1.
What is the InChIKey of N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine?
The InChIKey is UENSTBLZYXCWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H25N3.C36H24F2N2/c1-38-33-22-12-14-24-35(33)40(29-19-9-4-10-20-29)36-26-32-30-21-11-13-23-34(30)39(28-17-7-3-8-18-28)37(32)25-31(36)27-15-5-2-6-16-27;1-38-28-21-23-31(24-22-28)39(29-15-7-3-8-16-29)36-26-34-32-19-11-12-20-35(32)40(30-17-9-4-10-18-30)37(34)25-33(36)27-13-5-2-6-14-27;37-26-15-19-29(20-16-26)39(30-21-17-27(38)18-22-30)35-24-33-31-13-7-8-14-34(31)40(28-11-5-2-6-12-28)36(33)23-32(35)25-9-3-1-4-10-25/h2*2-26H;1-24H.
What are the key properties of N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine?
N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine has a molecular weight of 1545.85 g/mol, XLogP of 31.14, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-fluorophenyl)-2,9-diphenylcarbazol-3-amine;N-(2-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine;N-(4-isocyanophenyl)-N,2,9-triphenylcarbazol-3-amine is sourced from PubChem (CID 161070068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).