3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine

C67H46N2 — CID 130264087

IUPAC3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C67H46N2/c1-5-23-47(24-6-1)53-31-17-21-39-65(53)68(49-27-9-3-10-28-49)51-42-44-63-60(45-51)58-36-16-20-38-62(58)67(63)61-37-19-15-35-57(61)55-33-13-14-34-56(55)59-43-41-52(46-64(59)67)69(50-29-11-4-12-30-50)66-40-22-18-32-54(66)48-25-7-2-8-26-48/h1-46H
InChIKeyBWCKSVUYIGDOIT-UHFFFAOYSA-N
MW879.12 g/mol
LogP17.97
Rot. Bonds8

About 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine

3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine (PubChem CID 130264087) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine.

Molecular Properties

Compound Name3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine
PubChem CID130264087
Molecular FormulaC67H46N2
Molecular Weight879.12 g/mol
Exact Mass878.37
IUPAC Name3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C67H46N2/c1-5-23-47(24-6-1)53-31-17-21-39-65(53)68(49-27-9-3-10-28-49)51-42-44-63-60(45-51)58-36-16-20-38-62(58)67(63)61-37-19-15-35-57(61)55-33-13-14-34-56(55)59-43-41-52(46-64(59)67)69(50-29-11-4-12-30-50)66-40-22-18-32-54(66)48-25-7-2-8-26-48/h1-46H
InChIKeyBWCKSVUYIGDOIT-UHFFFAOYSA-N
XLogP17.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine with MolForge

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Related Compounds

9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157
CID 134272876
CID 134272876
N,N-bis(2-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N,N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 160804380
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170116741
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476002
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-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-ylfluoren-2-amine
CID 121391735
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170116685
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165

Frequently Asked Questions

What is the IUPAC name of 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine?
The IUPAC name of 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine (CID 130264087) is 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine.
What is the SMILES notation for 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine?
The canonical SMILES for 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc32)cc1.
What is the InChIKey of 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine?
The InChIKey is BWCKSVUYIGDOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-5-23-47(24-6-1)53-31-17-21-39-65(53)68(49-27-9-3-10-28-49)51-42-44-63-60(45-51)58-36-16-20-38-62(58)67(63)61-37-19-15-35-57(61)55-33-13-14-34-56(55)59-43-41-52(46-64(59)67)69(50-29-11-4-12-30-50)66-40-22-18-32-54(66)48-25-7-2-8-26-48/h1-46H.
What are the key properties of 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine?
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine has a molecular weight of 879.12 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,11-N'-diphenyl-3-N,11-N'-bis(2-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]-3,11'-diamine is sourced from PubChem (CID 130264087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).