4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine

C48H35N3O — CID 90207080

IUPAC4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine
SMILESC1=C(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)CCC(N(c2ccccc2)c2cccc3c2oc2ccccc23)=C1
InChIInChI=1S/C48H35N3O/c1-4-15-34(16-5-1)49(39-31-32-45-43(33-39)40-21-10-12-24-44(40)51(45)36-19-8-3-9-20-36)37-27-29-38(30-28-37)50(35-17-6-2-7-18-35)46-25-14-23-42-41-22-11-13-26-47(41)52-48(42)46/h1-27,29,31-33H,28,30H2
InChIKeyPIVBZFIBIKPCDO-UHFFFAOYSA-N
MW669.83 g/mol
LogP13.22
Rot. Bonds7

About 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine

4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine (PubChem CID 90207080) has the molecular formula C48H35N3O and a molecular weight of 669.83 g/mol. Its IUPAC name is 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine
PubChem CID90207080
Molecular FormulaC48H35N3O
Molecular Weight669.83 g/mol
Exact Mass669.28
IUPAC Name4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine
SMILESC1=C(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)CCC(N(c2ccccc2)c2cccc3c2oc2ccccc23)=C1
InChIInChI=1S/C48H35N3O/c1-4-15-34(16-5-1)49(39-31-32-45-43(33-39)40-21-10-12-24-44(40)51(45)36-19-8-3-9-20-36)37-27-29-38(30-28-37)50(35-17-6-2-7-18-35)46-25-14-23-42-41-22-11-13-26-47(41)52-48(42)46/h1-27,29,31-33H,28,30H2
InChIKeyPIVBZFIBIKPCDO-UHFFFAOYSA-N
XLogP13.22
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 131997540
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-(5,5-dimethyl-4,4a-dihydrobenzo[b][1]benzosilol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 144766137
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577267
N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651787
N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 166032307
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine (CID 90207080) is 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine is C1=C(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)CCC(N(c2ccccc2)c2cccc3c2oc2ccccc23)=C1.
What is the InChIKey of 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine?
The InChIKey is PIVBZFIBIKPCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3O/c1-4-15-34(16-5-1)49(39-31-32-45-43(33-39)40-21-10-12-24-44(40)51(45)36-19-8-3-9-20-36)37-27-29-38(30-28-37)50(35-17-6-2-7-18-35)46-25-14-23-42-41-22-11-13-26-47(41)52-48(42)46/h1-27,29,31-33H,28,30H2.
What are the key properties of 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine?
4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine has a molecular weight of 669.83 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 90207080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).