N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C65H42N2 — CID 168781540

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C65H42N2/c1-3-17-43(18-4-1)46-20-15-23-50(41-46)66(61-32-16-31-60-63(61)56-27-11-14-30-59(56)65(60)57-28-12-9-25-52(57)53-26-10-13-29-58(53)65)49-37-33-44(34-38-49)47-36-39-54-55-40-35-45-19-7-8-24-51(45)64(55)67(62(54)42-47)48-21-5-2-6-22-48/h1-42H
InChIKeyKAMIGUSAWCPHNN-UHFFFAOYSA-N
MW851.07 g/mol
LogP17.08
Rot. Bonds6

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 168781540) has the molecular formula C65H42N2 and a molecular weight of 851.07 g/mol. Its IUPAC name is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID168781540
Molecular FormulaC65H42N2
Molecular Weight851.07 g/mol
Exact Mass850.33
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C65H42N2/c1-3-17-43(18-4-1)46-20-15-23-50(41-46)66(61-32-16-31-60-63(61)56-27-11-14-30-59(56)65(60)57-28-12-9-25-52(57)53-26-10-13-29-58(53)65)49-37-33-44(34-38-49)47-36-39-54-55-40-35-45-19-7-8-24-51(45)64(55)67(62(54)42-47)48-21-5-2-6-22-48/h1-42H
InChIKeyKAMIGUSAWCPHNN-UHFFFAOYSA-N
XLogP17.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.07
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168781886
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
N-(3,5-diphenylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-4-amine
CID 168781545
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 168781594
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-(4-naphthalen-1-ylphenyl)-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;N-[4-(9-phenylcarbazol-2-yl)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;N-(4-phenylphenyl)-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;N-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 160667115
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168781333
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 168781540) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is KAMIGUSAWCPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2/c1-3-17-43(18-4-1)46-20-15-23-50(41-46)66(61-32-16-31-60-63(61)56-27-11-14-30-59(56)65(60)57-28-12-9-25-52(57)53-26-10-13-29-58(53)65)49-37-33-44(34-38-49)47-36-39-54-55-40-35-45-19-7-8-24-51(45)64(55)67(62(54)42-47)48-21-5-2-6-22-48/h1-42H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 851.07 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 168781540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).