2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine

C52H35N3O — CID 154965712

IUPAC2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H35N3O/c1-4-19-38(20-5-1)53(39-21-6-2-7-22-39)48-34-42(54(40-23-8-3-9-24-40)47-29-16-27-44-43-25-13-15-30-50(43)56-52(44)47)35-49-51(48)45-26-12-14-28-46(45)55(49)41-32-31-36-17-10-11-18-37(36)33-41/h1-35H
InChIKeyOLCKGWYUEMCKCJ-UHFFFAOYSA-N
MW717.87 g/mol
LogP14.78
Rot. Bonds7

About 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine

2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine (PubChem CID 154965712) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
PubChem CID154965712
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H35N3O/c1-4-19-38(20-5-1)53(39-21-6-2-7-22-39)48-34-42(54(40-23-8-3-9-24-40)47-29-16-27-44-43-25-13-15-30-50(43)56-52(44)47)35-49-51(48)45-26-12-14-28-46(45)55(49)41-32-31-36-17-10-11-18-37(36)33-41/h1-35H
InChIKeyOLCKGWYUEMCKCJ-UHFFFAOYSA-N
XLogP14.78
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine with MolForge

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Related Compounds

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-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-yl-5-phenylphenyl)dibenzofuran-4-amine
CID 121329721
N-(16-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-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
CID 154965753
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
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
2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine
CID 139496690
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-dinaphthalen-2-yl-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163652671
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-(3,5-dimethylphenyl)dibenzofuran-4-amine
CID 166032273
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965730
N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168809217

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine?
The IUPAC name of 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine (CID 154965712) is 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine.
What is the SMILES notation for 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine?
The canonical SMILES for 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine is c1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine?
The InChIKey is OLCKGWYUEMCKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-4-19-38(20-5-1)53(39-21-6-2-7-22-39)48-34-42(54(40-23-8-3-9-24-40)47-29-16-27-44-43-25-13-15-30-50(43)56-52(44)47)35-49-51(48)45-26-12-14-28-46(45)55(49)41-32-31-36-17-10-11-18-37(36)33-41/h1-35H.
What are the key properties of 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine?
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine has a molecular weight of 717.87 g/mol, XLogP of 14.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine is sourced from PubChem (CID 154965712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).