N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C71H46N2 — CID 168781399

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C71H46N2/c1-3-17-48(18-4-1)56-22-9-10-23-57(56)50-33-39-54(40-34-50)72(55-41-44-62-61-27-13-16-30-67(61)71(68(62)46-55)65-28-14-11-25-59(65)60-26-12-15-29-66(60)71)53-37-31-47(32-38-53)51-36-42-63-64-43-35-49-19-7-8-24-58(49)70(64)73(69(63)45-51)52-20-5-2-6-21-52/h1-46H
InChIKeyHIXMUHTWWYXQEB-UHFFFAOYSA-N
MW927.16 g/mol
LogP18.75
Rot. Bonds7

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168781399) has the molecular formula C71H46N2 and a molecular weight of 927.16 g/mol. Its IUPAC name is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID168781399
Molecular FormulaC71H46N2
Molecular Weight927.16 g/mol
Exact Mass926.37
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C71H46N2/c1-3-17-48(18-4-1)56-22-9-10-23-57(56)50-33-39-54(40-34-50)72(55-41-44-62-61-27-13-16-30-67(61)71(68(62)46-55)65-28-14-11-25-59(65)60-26-12-15-29-66(60)71)53-37-31-47(32-38-53)51-36-42-63-64-43-35-49-19-7-8-24-58(49)70(64)73(69(63)45-51)52-20-5-2-6-21-52/h1-46H
InChIKeyHIXMUHTWWYXQEB-UHFFFAOYSA-N
XLogP18.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.16
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168781333
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
CID 168782174
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 168781573
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
N-phenyl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503654
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 168781540
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-11-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]carbazol-9-amine
CID 171418918
N-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503635
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 168781399) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is HIXMUHTWWYXQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2/c1-3-17-48(18-4-1)56-22-9-10-23-57(56)50-33-39-54(40-34-50)72(55-41-44-62-61-27-13-16-30-67(61)71(68(62)46-55)65-28-14-11-25-59(65)60-26-12-15-29-66(60)71)53-37-31-47(32-38-53)51-36-42-63-64-43-35-49-19-7-8-24-58(49)70(64)73(69(63)45-51)52-20-5-2-6-21-52/h1-46H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 927.16 g/mol, XLogP of 18.75, 7 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-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168781399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).