N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene

C75H69NO2 — CID 145242742

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene
SMILESC/C=C\C(=C/C)c1cc(-c2ccccc2)cc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)c1.C=C.C=C/C=C\C(=C)O.C=CC.CC
InChIInChI=1S/C62H45NO.C6H8O.C3H6.C2H6.C2H4/c1-3-12-42(4-2)51-38-52(43-13-6-5-7-14-43)40-53(39-51)46-25-33-56(34-26-46)63(55-31-23-45(24-32-55)49-28-36-62-60(41-49)59-17-10-11-18-61(59)64-62)54-29-21-44(22-30-54)48-27-35-58-50(37-48)20-19-47-15-8-9-16-57(47)58;1-3-4-5-6(2)7;1-3-2;2*1-2/h3-41H,1-2H3;3-5,7H,1-2H2;3H,1H2,2H3;1-2H3;1-2H2/b12-3-,42-4+;5-4-;;;
InChIKeyZYCMPNRTINWKJA-KUYCKTMASA-N
MW1016.38 g/mol
LogP22.83
Rot. Bonds11

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene (PubChem CID 145242742) has the molecular formula C75H69NO2 and a molecular weight of 1016.38 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene
PubChem CID145242742
Molecular FormulaC75H69NO2
Molecular Weight1016.38 g/mol
Exact Mass1015.53
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene
SMILESC/C=C\C(=C/C)c1cc(-c2ccccc2)cc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)c1.C=C.C=C/C=C\C(=C)O.C=CC.CC
InChIInChI=1S/C62H45NO.C6H8O.C3H6.C2H6.C2H4/c1-3-12-42(4-2)51-38-52(43-13-6-5-7-14-43)40-53(39-51)46-25-33-56(34-26-46)63(55-31-23-45(24-32-55)49-28-36-62-60(41-49)59-17-10-11-18-61(59)64-62)54-29-21-44(22-30-54)48-27-35-58-50(37-48)20-19-47-15-8-9-16-57(47)58;1-3-4-5-6(2)7;1-3-2;2*1-2/h3-41H,1-2H3;3-5,7H,1-2H2;3H,1H2,2H3;1-2H3;1-2H2/b12-3-,42-4+;5-4-;;;
InChIKeyZYCMPNRTINWKJA-KUYCKTMASA-N
XLogP22.83
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.38
LogP ≤ 522.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene with MolForge

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Related Compounds

N,N-bis(4-dibenzofuran-3-ylphenyl)-4-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]aniline
CID 167257270
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-2-phenanthren-2-ylaniline
CID 145242810
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 170130661
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene (CID 145242742) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene is C/C=C\C(=C/C)c1cc(-c2ccccc2)cc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)c1.C=C.C=C/C=C\C(=C)O.C=CC.CC.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene?
The InChIKey is ZYCMPNRTINWKJA-KUYCKTMASA-N. The full InChI is InChI=1S/C62H45NO.C6H8O.C3H6.C2H6.C2H4/c1-3-12-42(4-2)51-38-52(43-13-6-5-7-14-43)40-53(39-51)46-25-33-56(34-26-46)63(55-31-23-45(24-32-55)49-28-36-62-60(41-49)59-17-10-11-18-61(59)64-62)54-29-21-44(22-30-54)48-27-35-58-50(37-48)20-19-47-15-8-9-16-57(47)58;1-3-4-5-6(2)7;1-3-2;2*1-2/h3-41H,1-2H3;3-5,7H,1-2H2;3H,1H2,2H3;1-2H3;1-2H2/b12-3-,42-4+;5-4-;;;.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene has a molecular weight of 1016.38 g/mol, XLogP of 22.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene is sourced from PubChem (CID 145242742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).