N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline

C40H30N4 — CID 172940453

IUPACN-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc2c2ccccc12
InChIInChI=1S/C40H30N4/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)41-29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)40(39)30-42-44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H/b41-29+,42-30?
InChIKeyRMSMGDZMPOQEOG-OGCFDHFNSA-N
MW566.71 g/mol
LogP10.34
Rot. Bonds8

About N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline

N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline (PubChem CID 172940453) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline
PubChem CID172940453
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC NameN-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc2c2ccccc12
InChIInChI=1S/C40H30N4/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)41-29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)40(39)30-42-44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H/b41-29+,42-30?
InChIKeyRMSMGDZMPOQEOG-OGCFDHFNSA-N
XLogP10.34
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
CID 135758920
N-phenyl-N-(pyren-4-ylmethylideneamino)aniline
CID 59963659
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline
CID 6050776
N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
CID 70556050
N-[(Z)-(2-fluorophenyl)methylideneamino]-N-phenylaniline
CID 7921961
N-[(10-methylacridin-10-ium-9-yl)methylideneamino]-N-phenylaniline;methyl sulfate
CID 158938695
N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline
CID 4652420
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
4-[(diphenylhydrazinylidene)methyl]-N-ethenyl-N-ethylaniline
CID 59096400
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033

Frequently Asked Questions

What is the IUPAC name of N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline?
The IUPAC name of N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline (CID 172940453) is N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline is C(=NN(c1ccccc1)c1ccccc1)c1c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc2c2ccccc12.
What is the InChIKey of N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline?
The InChIKey is RMSMGDZMPOQEOG-OGCFDHFNSA-N. The full InChI is InChI=1S/C40H30N4/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)41-29-39-37-27-15-13-25-35(37)36-26-14-16-28-38(36)40(39)30-42-44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H/b41-29+,42-30?.
What are the key properties of N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline?
N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline has a molecular weight of 566.71 g/mol, XLogP of 10.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline is sourced from PubChem (CID 172940453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).