N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine

C105H67N3 — CID 159181397

IUPACN-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C68H42N2.C37H25N/c1-2-18-43(19-3-1)44-36-38-45(39-37-44)69(64-35-17-31-59-65(64)53-24-7-12-29-57(53)67(59)54-26-9-4-20-47(54)48-21-5-10-27-55(48)67)46-40-41-50-49-22-6-11-28-56(49)68(61(50)42-46)58-30-13-15-34-63(58)70-62-33-14-8-23-51(62)52-25-16-32-60(68)66(52)70;1-2-11-25(12-3-1)26-21-23-27(24-22-26)38-35-20-10-19-34-36(35)30-15-6-9-18-33(30)37(34)31-16-7-4-13-28(31)29-14-5-8-17-32(29)37/h1-42H;1-24,38H
InChIKeyKMYBKYYSIGASHN-UHFFFAOYSA-N
MW1370.71 g/mol
LogP26.38
Rot. Bonds7

About N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine

N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine (PubChem CID 159181397) has the molecular formula C105H67N3 and a molecular weight of 1370.71 g/mol. Its IUPAC name is N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine
PubChem CID159181397
Molecular FormulaC105H67N3
Molecular Weight1370.71 g/mol
Exact Mass1369.53
IUPAC NameN-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C68H42N2.C37H25N/c1-2-18-43(19-3-1)44-36-38-45(39-37-44)69(64-35-17-31-59-65(64)53-24-7-12-29-57(53)67(59)54-26-9-4-20-47(54)48-21-5-10-27-55(48)67)46-40-41-50-49-22-6-11-28-56(49)68(61(50)42-46)58-30-13-15-34-63(58)70-62-33-14-8-23-51(62)52-25-16-32-60(68)66(52)70;1-2-11-25(12-3-1)26-21-23-27(24-22-26)38-35-20-10-19-34-36(35)30-15-6-9-18-33(30)37(34)31-16-7-4-13-28(31)29-14-5-8-17-32(29)37/h1-42H;1-24,38H
InChIKeyKMYBKYYSIGASHN-UHFFFAOYSA-N
XLogP26.38
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001370.71
LogP ≤ 526.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-diphenylfluoren-4-yl)-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]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 159681482
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-(9,9-dimethylfluoren-2-yl)-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 135168602
N-(4-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]-2'-amine
CID 135166479
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-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 135168068
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,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-(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-dibenzothiophen-2-ylphenyl)-2-(2-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-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]-2'-amine
CID 159869804
N-[2-(4-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)-9,9'-spirobi[fluorene]-2-amine
CID 135166943
N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-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]-2'-amine
CID 135168024
9,9-diphenyl-N-(3-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 135168653

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine?
The IUPAC name of N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine (CID 159181397) is N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine.
What is the SMILES notation for N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine?
The canonical SMILES for N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine?
The InChIKey is KMYBKYYSIGASHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2.C37H25N/c1-2-18-43(19-3-1)44-36-38-45(39-37-44)69(64-35-17-31-59-65(64)53-24-7-12-29-57(53)67(59)54-26-9-4-20-47(54)48-21-5-10-27-55(48)67)46-40-41-50-49-22-6-11-28-56(49)68(61(50)42-46)58-30-13-15-34-63(58)70-62-33-14-8-23-51(62)52-25-16-32-60(68)66(52)70;1-2-11-25(12-3-1)26-21-23-27(24-22-26)38-35-20-10-19-34-36(35)30-15-6-9-18-33(30)37(34)31-16-7-4-13-28(31)29-14-5-8-17-32(29)37/h1-42H;1-24,38H.
What are the key properties of N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine?
N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine has a molecular weight of 1370.71 g/mol, XLogP of 26.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-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]-2'-amine is sourced from PubChem (CID 159181397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).