N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine

C84H51N3 — CID 135167989

IUPACN-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)c5cc6c(c7ccccc57)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C84H51N3/c1-2-21-54(22-3-1)86-76-38-17-11-28-63(76)67-49-53(43-48-78(67)86)52-41-44-55(45-42-52)85(80-51-75-81(64-29-5-4-26-61(64)80)66-30-9-15-35-71(66)83(75)68-32-12-6-23-57(68)58-24-7-13-33-69(58)83)56-46-47-60-59-25-8-14-34-70(59)84(74(60)50-56)72-36-16-19-40-79(72)87-77-39-18-10-27-62(77)65-31-20-37-73(84)82(65)87/h1-51H
InChIKeyAEIUJZDPHXTQOT-UHFFFAOYSA-N
MW1102.35 g/mol
LogP21.19
Rot. Bonds5

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine (PubChem CID 135167989) has the molecular formula C84H51N3 and a molecular weight of 1102.35 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine
PubChem CID135167989
Molecular FormulaC84H51N3
Molecular Weight1102.35 g/mol
Exact Mass1101.41
IUPAC NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)c5cc6c(c7ccccc57)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C84H51N3/c1-2-21-54(22-3-1)86-76-38-17-11-28-63(76)67-49-53(43-48-78(67)86)52-41-44-55(45-42-52)85(80-51-75-81(64-29-5-4-26-61(64)80)66-30-9-15-35-71(66)83(75)68-32-12-6-23-57(68)58-24-7-13-33-69(58)83)56-46-47-60-59-25-8-14-34-70(59)84(74(60)50-56)72-36-16-19-40-79(72)87-77-39-18-10-27-62(77)65-31-20-37-73(84)82(65)87/h1-51H
InChIKeyAEIUJZDPHXTQOT-UHFFFAOYSA-N
XLogP21.19
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.35
LogP ≤ 521.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine with MolForge

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Related Compounds

N-(7,7-diphenylbenzo[c]fluoren-5-yl)-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 135168223
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-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)aniline
CID 135166932
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
N-(7,7-diphenylbenzo[g]fluoren-9-yl)-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]-2'-amine
CID 135167948
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-(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-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(3-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 135166416
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
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-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-amine
CID 135167069
N-(4-dibenzothiophen-4-ylphenyl)-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]-2'-amine
CID 135168139
N-[4-(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 135168601
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine (CID 135167989) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)c5cc6c(c7ccccc57)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine?
The InChIKey is AEIUJZDPHXTQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H51N3/c1-2-21-54(22-3-1)86-76-38-17-11-28-63(76)67-49-53(43-48-78(67)86)52-41-44-55(45-42-52)85(80-51-75-81(64-29-5-4-26-61(64)80)66-30-9-15-35-71(66)83(75)68-32-12-6-23-57(68)58-24-7-13-33-69(58)83)56-46-47-60-59-25-8-14-34-70(59)84(74(60)50-56)72-36-16-19-40-79(72)87-77-39-18-10-27-62(77)65-31-20-37-73(84)82(65)87/h1-51H.
What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine?
N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine has a molecular weight of 1102.35 g/mol, XLogP of 21.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-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]-2'-amine is sourced from PubChem (CID 135167989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).