5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine

C52H35N3O — CID 154965753

IUPAC5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4cc5ccccc5cc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1
InChIInChI=1S/C52H35N3O/c1-5-19-38(20-6-1)53(39-21-7-2-8-22-39)43-33-48(54(40-23-9-3-10-24-40)41-25-11-4-12-26-41)52-46-31-36-17-13-14-18-37(36)32-47(46)55(49(52)34-43)42-29-30-45-44-27-15-16-28-50(44)56-51(45)35-42/h1-35H
InChIKeyDVSYOFIIMSXNNC-UHFFFAOYSA-N
MW717.87 g/mol
LogP14.78
Rot. Bonds7

About 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine

5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine (PubChem CID 154965753) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine.

Molecular Properties

Compound Name5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
PubChem CID154965753
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4cc5ccccc5cc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1
InChIInChI=1S/C52H35N3O/c1-5-19-38(20-6-1)53(39-21-7-2-8-22-39)43-33-48(54(40-23-9-3-10-24-40)41-25-11-4-12-26-41)52-46-31-36-17-13-14-18-37(36)32-47(46)55(49(52)34-43)42-29-30-45-44-27-15-16-28-50(44)56-51(45)35-42/h1-35H
InChIKeyDVSYOFIIMSXNNC-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

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Related Compounds

2-N-naphtho[2,3-b][1]benzofuran-3-yl-2-N,4-N,4-N-triphenyl-9-(3-phenylphenyl)carbazole-2,4-diamine
CID 154965851
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965712
14-dibenzofuran-3-yl-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 170927828
9-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 167061566
N-dibenzofuran-3-yl-N-(3,4-diphenylphenyl)-5-phenylbenzo[b]carbazol-3-amine;N-phenyl-N,5-bis(4-phenylphenyl)benzo[b]carbazol-3-amine;5-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]carbazol-3-amine
CID 164982189
2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine
CID 139496690
2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
CID 157249821
N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine
CID 163896520
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
CID 160753500

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine?
The IUPAC name of 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine (CID 154965753) is 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine.
What is the SMILES notation for 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine?
The canonical SMILES for 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4cc5ccccc5cc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1.
What is the InChIKey of 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine?
The InChIKey is DVSYOFIIMSXNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-5-19-38(20-6-1)53(39-21-7-2-8-22-39)43-33-48(54(40-23-9-3-10-24-40)41-25-11-4-12-26-41)52-46-31-36-17-13-14-18-37(36)32-47(46)55(49(52)34-43)42-29-30-45-44-27-15-16-28-50(44)56-51(45)35-42/h1-35H.
What are the key properties of 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine?
5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-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 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine is sourced from PubChem (CID 154965753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).