N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline

C69H48N2O — CID 167179629

IUPACN-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline
SMILESC=Cc1oc2cc(-c3cccc(N(c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3)ccc2c1/C=C\C
InChIInChI=1S/C69H48N2O/c1-3-17-63-64-39-36-51(45-69(64)72-68(63)4-2)50-22-14-24-55(41-50)70(56-25-16-23-52(43-56)65-44-53-18-5-6-27-58(53)59-28-7-8-29-60(59)65)54-37-34-46(35-38-54)47-19-13-20-48(40-47)49-21-15-26-57(42-49)71-66-32-11-9-30-61(66)62-31-10-12-33-67(62)71/h3-45H,2H2,1H3/b17-3-
InChIKeyQKRMGJXJQRZYTB-YPEHOIGNSA-N
MW921.16 g/mol
LogP19.65
Rot. Bonds10

About N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline (PubChem CID 167179629) has the molecular formula C69H48N2O and a molecular weight of 921.16 g/mol. Its IUPAC name is N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline
PubChem CID167179629
Molecular FormulaC69H48N2O
Molecular Weight921.16 g/mol
Exact Mass920.38
IUPAC NameN-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline
SMILESC=Cc1oc2cc(-c3cccc(N(c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3)ccc2c1/C=C\C
InChIInChI=1S/C69H48N2O/c1-3-17-63-64-39-36-51(45-69(64)72-68(63)4-2)50-22-14-24-55(41-50)70(56-25-16-23-52(43-56)65-44-53-18-5-6-27-58(53)59-28-7-8-29-60(59)65)54-37-34-46(35-38-54)47-19-13-20-48(40-47)49-21-15-26-57(42-49)71-66-32-11-9-30-61(66)62-31-10-12-33-67(62)71/h3-45H,2H2,1H3/b17-3-
InChIKeyQKRMGJXJQRZYTB-YPEHOIGNSA-N
XLogP19.65
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.16
LogP ≤ 519.65
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-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314938
3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398005
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 155398217
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 155398070
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314660
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 167179628
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline?
The IUPAC name of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline (CID 167179629) is N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline.
What is the SMILES notation for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline?
The canonical SMILES for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline is C=Cc1oc2cc(-c3cccc(N(c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3)ccc2c1/C=C\C.
What is the InChIKey of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline?
The InChIKey is QKRMGJXJQRZYTB-YPEHOIGNSA-N. The full InChI is InChI=1S/C69H48N2O/c1-3-17-63-64-39-36-51(45-69(64)72-68(63)4-2)50-22-14-24-55(41-50)70(56-25-16-23-52(43-56)65-44-53-18-5-6-27-58(53)59-28-7-8-29-60(59)65)54-37-34-46(35-38-54)47-19-13-20-48(40-47)49-21-15-26-57(42-49)71-66-32-11-9-30-61(66)62-31-10-12-33-67(62)71/h3-45H,2H2,1H3/b17-3-.
What are the key properties of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline?
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline has a molecular weight of 921.16 g/mol, XLogP of 19.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 167179629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).