5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine

C66H44N4O — CID 122634225

IUPAC5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C66H44N4O/c1-5-19-47(20-6-1)67(51-34-36-57-55-27-13-16-30-61(55)69(63(57)43-51)49-23-9-3-10-24-49)53-39-46(45-33-38-66-60(41-45)59-29-15-18-32-65(59)71-66)40-54(42-53)68(48-21-7-2-8-22-48)52-35-37-58-56-28-14-17-31-62(56)70(64(58)44-52)50-25-11-4-12-26-50/h1-44H
InChIKeySPFUCSQSFOBXCY-UHFFFAOYSA-N
MW909.11 g/mol
LogP18.39
Rot. Bonds9

About 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine

5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine (PubChem CID 122634225) has the molecular formula C66H44N4O and a molecular weight of 909.11 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
PubChem CID122634225
Molecular FormulaC66H44N4O
Molecular Weight909.11 g/mol
Exact Mass908.35
IUPAC Name5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C66H44N4O/c1-5-19-47(20-6-1)67(51-34-36-57-55-27-13-16-30-61(55)69(63(57)43-51)49-23-9-3-10-24-49)53-39-46(45-33-38-66-60(41-45)59-29-15-18-32-65(59)71-66)40-54(42-53)68(48-21-7-2-8-22-48)52-35-37-58-56-28-14-17-31-62(56)70(64(58)44-52)50-25-11-4-12-26-50/h1-44H
InChIKeySPFUCSQSFOBXCY-UHFFFAOYSA-N
XLogP18.39
TPSA29.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.11
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443777
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443776
9-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333364
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
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
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
9-dibenzofuran-2-yl-N-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 118333380
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine (CID 122634225) is 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine is c1ccc(N(c2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine?
The InChIKey is SPFUCSQSFOBXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4O/c1-5-19-47(20-6-1)67(51-34-36-57-55-27-13-16-30-61(55)69(63(57)43-51)49-23-9-3-10-24-49)53-39-46(45-33-38-66-60(41-45)59-29-15-18-32-65(59)71-66)40-54(42-53)68(48-21-7-2-8-22-48)52-35-37-58-56-28-14-17-31-62(56)70(64(58)44-52)50-25-11-4-12-26-50/h1-44H.
What are the key properties of 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine?
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine has a molecular weight of 909.11 g/mol, XLogP of 18.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 122634225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).