N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

C74H46N2 — CID 135167224

IUPACN-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4c5ccccc5n-3c24)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C74H46N2/c1-2-22-47(23-3-1)49-24-4-5-25-50(49)55-30-11-18-41-67(55)75(70-43-21-39-64-71(70)58-32-10-17-38-63(58)73(64)59-34-13-6-26-51(59)52-27-7-14-35-60(52)73)48-44-45-69-66(46-48)74(61-36-15-8-28-53(61)54-29-9-16-37-62(54)74)65-40-20-33-57-56-31-12-19-42-68(56)76(69)72(57)65/h1-46H
InChIKeyBSCVTIUAVSFMEZ-UHFFFAOYSA-N
MW963.20 g/mol
LogP18.61
Rot. Bonds5

About N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine (PubChem CID 135167224) has the molecular formula C74H46N2 and a molecular weight of 963.20 g/mol. Its IUPAC name is N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine.

Molecular Properties

Compound NameN-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
PubChem CID135167224
Molecular FormulaC74H46N2
Molecular Weight963.20 g/mol
Exact Mass962.37
IUPAC NameN-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4c5ccccc5n-3c24)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C74H46N2/c1-2-22-47(23-3-1)49-24-4-5-25-50(49)55-30-11-18-41-67(55)75(70-43-21-39-64-71(70)58-32-10-17-38-63(58)73(64)59-34-13-6-26-51(59)52-27-7-14-35-60(52)73)48-44-45-69-66(46-48)74(61-36-15-8-28-53(61)54-29-9-16-37-62(54)74)65-40-20-33-57-56-31-12-19-42-68(56)76(69)72(57)65/h1-46H
InChIKeyBSCVTIUAVSFMEZ-UHFFFAOYSA-N
XLogP18.61
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.20
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166356
(13R)-N-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 155296951
N,N-bis(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135168118
N-[4-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168194
N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166318
N-(2-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135168589
9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135166985
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168133
9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)fluoren-4-amine
CID 135167102
N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166289
N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine
CID 135167284
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 158526811

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?
The IUPAC name of N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine (CID 135167224) is N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine.
What is the SMILES notation for N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?
The canonical SMILES for N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4c5ccccc5n-3c24)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?
The InChIKey is BSCVTIUAVSFMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2/c1-2-22-47(23-3-1)49-24-4-5-25-50(49)55-30-11-18-41-67(55)75(70-43-21-39-64-71(70)58-32-10-17-38-63(58)73(64)59-34-13-6-26-51(59)52-27-7-14-35-60(52)73)48-44-45-69-66(46-48)74(61-36-15-8-28-53(61)54-29-9-16-37-62(54)74)65-40-20-33-57-56-31-12-19-42-68(56)76(69)72(57)65/h1-46H.
What are the key properties of N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?
N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine has a molecular weight of 963.20 g/mol, XLogP of 18.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine is sourced from PubChem (CID 135167224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).