N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine

C51H45N3O — CID 134281169

IUPACN-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
SMILESCCCCCCOc1ccccc1Cn1c2cc(N=C(c3ccccc3)c3ccccc3)ccc2c2ccc(N=C(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C51H45N3O/c1-2-3-4-19-34-55-49-29-18-17-28-42(49)37-54-47-35-43(52-50(38-20-9-5-10-21-38)39-22-11-6-12-23-39)30-32-45(47)46-33-31-44(36-48(46)54)53-51(40-24-13-7-14-25-40)41-26-15-8-16-27-41/h5-18,20-33,35-36H,2-4,19,34,37H2,1H3
InChIKeyKRMDDDCSSKWIBL-UHFFFAOYSA-N
MW715.94 g/mol
LogP13.14
Rot. Bonds14

About N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine

N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine (PubChem CID 134281169) has the molecular formula C51H45N3O and a molecular weight of 715.94 g/mol. Its IUPAC name is N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
PubChem CID134281169
Molecular FormulaC51H45N3O
Molecular Weight715.94 g/mol
Exact Mass715.36
IUPAC NameN-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
SMILESCCCCCCOc1ccccc1Cn1c2cc(N=C(c3ccccc3)c3ccccc3)ccc2c2ccc(N=C(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C51H45N3O/c1-2-3-4-19-34-55-49-29-18-17-28-42(49)37-54-47-35-43(52-50(38-20-9-5-10-21-38)39-22-11-6-12-23-39)30-32-45(47)46-33-31-44(36-48(46)54)53-51(40-24-13-7-14-25-40)41-26-15-8-16-27-41/h5-18,20-33,35-36H,2-4,19,34,37H2,1H3
InChIKeyKRMDDDCSSKWIBL-UHFFFAOYSA-N
XLogP13.14
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
CID 134281226
(2-octoxyphenyl)methanol
CID 43128604
1-ethyl-2-heptoxybenzene
CID 22723794
2-(2-pentoxyphenyl)ethanol
CID 91657515
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856258

Frequently Asked Questions

What is the IUPAC name of N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine (CID 134281169) is N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine is CCCCCCOc1ccccc1Cn1c2cc(N=C(c3ccccc3)c3ccccc3)ccc2c2ccc(N=C(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
The InChIKey is KRMDDDCSSKWIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N3O/c1-2-3-4-19-34-55-49-29-18-17-28-42(49)37-54-47-35-43(52-50(38-20-9-5-10-21-38)39-22-11-6-12-23-39)30-32-45(47)46-33-31-44(36-48(46)54)53-51(40-24-13-7-14-25-40)41-26-15-8-16-27-41/h5-18,20-33,35-36H,2-4,19,34,37H2,1H3.
What are the key properties of N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine?
N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine has a molecular weight of 715.94 g/mol, XLogP of 13.14, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 134281169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).