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

C74H46N2 — CID 135168194

IUPACN-[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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1
InChIInChI=1S/C74H46N2/c1-2-19-47(20-3-1)48-39-41-49(42-40-48)50-43-45-51(46-44-50)75(68-37-17-32-63-70(68)56-24-6-11-29-60(56)73(63)58-27-9-4-21-52(58)53-22-5-10-28-59(53)73)69-38-18-33-64-71(69)57-25-7-12-30-61(57)74(64)62-31-13-15-36-67(62)76-66-35-14-8-23-54(66)55-26-16-34-65(74)72(55)76/h1-46H
InChIKeyBATRGCPJZVSDEL-UHFFFAOYSA-N
MW963.20 g/mol
LogP18.61
Rot. Bonds5

About 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

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 (PubChem CID 135168194) has the molecular formula C74H46N2 and a molecular weight of 963.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID135168194
Molecular FormulaC74H46N2
Molecular Weight963.20 g/mol
Exact Mass962.37
IUPAC NameN-[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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1
InChIInChI=1S/C74H46N2/c1-2-19-47(20-3-1)48-39-41-49(42-40-48)50-43-45-51(46-44-50)75(68-37-17-32-63-70(68)56-24-6-11-29-60(56)73(63)58-27-9-4-21-52(58)53-22-5-10-28-59(53)73)69-38-18-33-64-71(69)57-25-7-12-30-61(57)74(64)62-31-13-15-36-67(62)76-66-35-14-8-23-54(66)55-26-16-34-65(74)72(55)76/h1-46H
InChIKeyBATRGCPJZVSDEL-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-[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 with MolForge

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Related Compounds

(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-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-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 135168358
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-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
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
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,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-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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 135168297
9,9-diphenyl-N-(4-phenylphenyl)-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 135168644
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)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 167176590
2-phenyl-N-[2-(2-phenylphenyl)phenyl]-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)aniline
CID 135166917
N-phenyl-N-(4-phenylphenyl)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]-1'-amine
CID 135293653

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BATRGCPJZVSDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2/c1-2-19-47(20-3-1)48-39-41-49(42-40-48)50-43-45-51(46-44-50)75(68-37-17-32-63-70(68)56-24-6-11-29-60(56)73(63)58-27-9-4-21-52(58)53-22-5-10-28-59(53)73)69-38-18-33-64-71(69)57-25-7-12-30-61(57)74(64)62-31-13-15-36-67(62)76-66-35-14-8-23-54(66)55-26-16-34-65(74)72(55)76/h1-46H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 135168194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).