N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine

C49H33N — CID 155079035

IUPACN-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C49H33N/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50(36-17-5-2-6-18-36)38-31-32-44-40-20-8-7-19-39(40)41-21-9-12-24-45(41)49(48(44)33-38)46-25-13-10-22-42(46)43-23-11-14-26-47(43)49/h1-33H
InChIKeyZTOXJXAFCUEGJO-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.83
Rot. Bonds4

About N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine

N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine (PubChem CID 155079035) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
PubChem CID155079035
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC NameN-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C49H33N/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50(36-17-5-2-6-18-36)38-31-32-44-40-20-8-7-19-39(40)41-21-9-12-24-45(41)49(48(44)33-38)46-25-13-10-22-42(46)43-23-11-14-26-47(43)49/h1-33H
InChIKeyZTOXJXAFCUEGJO-UHFFFAOYSA-N
XLogP12.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
CID 171402038
CID 171402038

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine (CID 155079035) is N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine?
The InChIKey is ZTOXJXAFCUEGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50(36-17-5-2-6-18-36)38-31-32-44-40-20-8-7-19-39(40)41-21-9-12-24-45(41)49(48(44)33-38)46-25-13-10-22-42(46)43-23-11-14-26-47(43)49/h1-33H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine?
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine has a molecular weight of 635.81 g/mol, XLogP of 12.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine is sourced from PubChem (CID 155079035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).