N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine

C59H49N — CID 134442718

IUPACN-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine
SMILESC1=CC(c2ccccc2)CC=C1N(c1ccccc1)c1c2c(cc3ccccc13)C1(CCCC1)c1cc(CC(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc1-2
InChIInChI=1S/C59H49N/c1-5-17-43(18-6-1)45-28-30-48(31-29-45)54(47-21-9-3-10-22-47)39-42-27-36-53-55(40-42)59(37-15-16-38-59)56-41-49-23-13-14-26-52(49)58(57(53)56)60(50-24-11-4-12-25-50)51-34-32-46(33-35-51)44-19-7-2-8-20-44/h1-14,17-32,34-36,40-41,46,54H,15-16,33,37-39H2
InChIKeyWFGJZHMVQFHXSY-UHFFFAOYSA-N
MW772.05 g/mol
LogP15.49
Rot. Bonds9

About N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine

N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine (PubChem CID 134442718) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine
PubChem CID134442718
Molecular FormulaC59H49N
Molecular Weight772.05 g/mol
Exact Mass771.39
IUPAC NameN-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine
SMILESC1=CC(c2ccccc2)CC=C1N(c1ccccc1)c1c2c(cc3ccccc13)C1(CCCC1)c1cc(CC(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc1-2
InChIInChI=1S/C59H49N/c1-5-17-43(18-6-1)45-28-30-48(31-29-45)54(47-21-9-3-10-22-47)39-42-27-36-53-55(40-42)59(37-15-16-38-59)56-41-49-23-13-14-26-52(49)58(57(53)56)60(50-24-11-4-12-25-50)51-34-32-46(33-35-51)44-19-7-2-8-20-44/h1-14,17-32,34-36,40-41,46,54H,15-16,33,37-39H2
InChIKeyWFGJZHMVQFHXSY-UHFFFAOYSA-N
XLogP15.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.05
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
CID 138601412
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 129311507
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine
CID 121321577
N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 153471039
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
9-(4-methylphenyl)-10-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N,2-N,6-N-tris(4-phenylphenyl)anthracene-2,6-diamine
CID 59766431
5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
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
5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 126632927

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine?
The IUPAC name of N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine (CID 134442718) is N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine?
The canonical SMILES for N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine is C1=CC(c2ccccc2)CC=C1N(c1ccccc1)c1c2c(cc3ccccc13)C1(CCCC1)c1cc(CC(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc1-2.
What is the InChIKey of N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine?
The InChIKey is WFGJZHMVQFHXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-5-17-43(18-6-1)45-28-30-48(31-29-45)54(47-21-9-3-10-22-47)39-42-27-36-53-55(40-42)59(37-15-16-38-59)56-41-49-23-13-14-26-52(49)58(57(53)56)60(50-24-11-4-12-25-50)51-34-32-46(33-35-51)44-19-7-2-8-20-44/h1-14,17-32,34-36,40-41,46,54H,15-16,33,37-39H2.
What are the key properties of N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine?
N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine has a molecular weight of 772.05 g/mol, XLogP of 15.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[benzo[b]fluorene-11,1'-cyclopentane]-5-amine is sourced from PubChem (CID 134442718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).