N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine

C44H39N — CID 144558318

IUPACN-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine
SMILESC/C=C1\CC=CC=C1c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1
InChIInChI=1S/C44H39N/c1-2-32-13-7-8-16-39(32)35-21-25-37(26-22-35)45(36-23-19-34(20-24-36)33-14-5-3-6-15-33)38-27-28-43-41(31-38)40-17-9-10-18-42(40)44(43)29-11-4-12-30-44/h2-3,5-10,14-28,31H,4,11-13,29-30H2,1H3/b32-2+
InChIKeyZXKFFESJTBRESJ-NWSURGGZSA-N
MW581.80 g/mol
LogP12.34
Rot. Bonds5

About N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine

N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine (PubChem CID 144558318) has the molecular formula C44H39N and a molecular weight of 581.80 g/mol. Its IUPAC name is N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine
PubChem CID144558318
Molecular FormulaC44H39N
Molecular Weight581.80 g/mol
Exact Mass581.31
IUPAC NameN-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine
SMILESC/C=C1\CC=CC=C1c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1
InChIInChI=1S/C44H39N/c1-2-32-13-7-8-16-39(32)35-21-25-37(26-22-35)45(36-23-19-34(20-24-36)33-14-5-3-6-15-33)38-27-28-43-41(31-38)40-17-9-10-18-42(40)44(43)29-11-4-12-30-44/h2-3,5-10,14-28,31H,4,11-13,29-30H2,1H3/b32-2+
InChIKeyZXKFFESJTBRESJ-NWSURGGZSA-N
XLogP12.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.80
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025205
7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-[4-(N-[7'-(4-phenyl-N-(4-phenylphenyl)anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 59025081
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-9,9'-spirobi[fluorene]-2-amine
CID 157324927
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 166718125
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722865
2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 58672384
9,9-dimethyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 174254615
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The IUPAC name of N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine (CID 144558318) is N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine.
What is the SMILES notation for N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The canonical SMILES for N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine is C/C=C1\CC=CC=C1c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1.
What is the InChIKey of N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The InChIKey is ZXKFFESJTBRESJ-NWSURGGZSA-N. The full InChI is InChI=1S/C44H39N/c1-2-32-13-7-8-16-39(32)35-21-25-37(26-22-35)45(36-23-19-34(20-24-36)33-14-5-3-6-15-33)38-27-28-43-41(31-38)40-17-9-10-18-42(40)44(43)29-11-4-12-30-44/h2-3,5-10,14-28,31H,4,11-13,29-30H2,1H3/b32-2+.
What are the key properties of N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine?
N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine has a molecular weight of 581.80 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6E)-6-ethylidenecyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-3'-amine is sourced from PubChem (CID 144558318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).