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

C80H51N3 — CID 135168068

IUPACN-[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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)cccc32)cc1
InChIInChI=1S/C80H51N3/c1-3-21-54(22-4-1)79(55-23-5-2-6-24-55)67-32-13-8-29-65(67)77-69(79)34-20-40-76(77)81(56-45-41-52(42-46-56)53-43-47-57(48-44-53)82-72-36-15-9-26-61(72)62-27-10-16-37-73(62)82)58-49-50-60-59-25-7-12-31-66(59)80(71(60)51-58)68-33-14-18-39-75(68)83-74-38-17-11-28-63(74)64-30-19-35-70(80)78(64)83/h1-51H
InChIKeyQRKQIAKJXQZQIE-UHFFFAOYSA-N
MW1054.31 g/mol
LogP20.06
Rot. Bonds7

About 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

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 (PubChem CID 135168068) has the molecular formula C80H51N3 and a molecular weight of 1054.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID135168068
Molecular FormulaC80H51N3
Molecular Weight1054.31 g/mol
Exact Mass1053.41
IUPAC NameN-[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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)cccc32)cc1
InChIInChI=1S/C80H51N3/c1-3-21-54(22-4-1)79(55-23-5-2-6-24-55)67-32-13-8-29-65(67)77-69(79)34-20-40-76(77)81(56-45-41-52(42-46-56)53-43-47-57(48-44-53)82-72-36-15-9-26-61(72)62-27-10-16-37-73(62)82)58-49-50-60-59-25-7-12-31-66(59)80(71(60)51-58)68-33-14-18-39-75(68)83-74-38-17-11-28-63(74)64-30-19-35-70(80)78(64)83/h1-51H
InChIKeyQRKQIAKJXQZQIE-UHFFFAOYSA-N
XLogP20.06
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.31
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-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 135168134
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-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[9-phenyl-3-[9-[4-[4-(9-phenylfluoren-9-yl)-N-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'-ylanilino]phenyl]carbazol-3-yl]fluoren-9-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 135180576
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[c]fluoren-5-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 135168232
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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-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 135167951
9,9-diphenyl-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]-4'-ylphenyl)fluoren-2-amine
CID 135168746
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]-2'-amine
CID 135166476
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-(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-(9,9-diphenylfluoren-4-yl)-N-phenanthren-9-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 135167990

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is QRKQIAKJXQZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H51N3/c1-3-21-54(22-4-1)79(55-23-5-2-6-24-55)67-32-13-8-29-65(67)77-69(79)34-20-40-76(77)81(56-45-41-52(42-46-56)53-43-47-57(48-44-53)82-72-36-15-9-26-61(72)62-27-10-16-37-73(62)82)58-49-50-60-59-25-7-12-31-66(59)80(71(60)51-58)68-33-14-18-39-75(68)83-74-38-17-11-28-63(74)64-30-19-35-70(80)78(64)83/h1-51H.
What are the key properties of 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?
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 has a molecular weight of 1054.31 g/mol, XLogP of 20.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135168068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).