3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline

C70H46N2O — CID 155105684

IUPAC3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6oc(-c7ccccc7)c(-c7ccccc7)c6c5c4)c3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C70H46N2O/c1-5-19-47(20-6-1)48-35-39-56(40-36-48)71(58-30-18-26-52(44-58)54-38-42-66-63(45-54)61-32-15-16-34-65(61)72(66)55-27-11-4-12-28-55)57-29-17-25-51(43-57)53-37-41-60-59-31-13-14-33-62(59)70-68(64(60)46-53)67(49-21-7-2-8-22-49)69(73-70)50-23-9-3-10-24-50/h1-46H
InChIKeyKZOCLKHDUNORFH-UHFFFAOYSA-N
MW931.15 g/mol
LogP19.64
Rot. Bonds9

About 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline

3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 155105684) has the molecular formula C70H46N2O and a molecular weight of 931.15 g/mol. Its IUPAC name is 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID155105684
Molecular FormulaC70H46N2O
Molecular Weight931.15 g/mol
Exact Mass930.36
IUPAC Name3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6oc(-c7ccccc7)c(-c7ccccc7)c6c5c4)c3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C70H46N2O/c1-5-19-47(20-6-1)48-35-39-56(40-36-48)71(58-30-18-26-52(44-58)54-38-42-66-63(45-54)61-32-15-16-34-65(61)72(66)55-27-11-4-12-28-55)57-29-17-25-51(43-57)53-37-41-60-59-31-13-14-33-62(59)70-68(64(60)46-53)67(49-21-7-2-8-22-49)69(73-70)50-23-9-3-10-24-50/h1-46H
InChIKeyKZOCLKHDUNORFH-UHFFFAOYSA-N
XLogP19.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.15
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 155105896
3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 169065260
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 155105684) is 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6oc(-c7ccccc7)c(-c7ccccc7)c6c5c4)c3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is KZOCLKHDUNORFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O/c1-5-19-47(20-6-1)48-35-39-56(40-36-48)71(58-30-18-26-52(44-58)54-38-42-66-63(45-54)61-32-15-16-34-65(61)72(66)55-27-11-4-12-28-55)57-29-17-25-51(43-57)53-37-41-60-59-31-13-14-33-62(59)70-68(64(60)46-53)67(49-21-7-2-8-22-49)69(73-70)50-23-9-3-10-24-50/h1-46H.
What are the key properties of 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 931.15 g/mol, XLogP of 19.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 155105684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).