N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine

C59H42N2 — CID 169285372

IUPACN-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c21
InChIInChI=1S/C59H42N2/c1-59(2)53-28-12-11-24-49(53)51-27-15-29-54(57(51)59)60(44-33-30-41(31-34-44)47-26-14-20-42-19-13-25-46(56(42)47)39-16-5-3-6-17-39)45-35-37-50-52-36-32-40-18-9-10-23-48(40)58(52)61(55(50)38-45)43-21-7-4-8-22-43/h3-38H,1-2H3
InChIKeyCAUKNILWQZPPNZ-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.20
Rot. Bonds6

About N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine

N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine (PubChem CID 169285372) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine
PubChem CID169285372
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c21
InChIInChI=1S/C59H42N2/c1-59(2)53-28-12-11-24-49(53)51-27-15-29-54(57(51)59)60(44-33-30-41(31-34-44)47-26-14-20-42-19-13-25-46(56(42)47)39-16-5-3-6-17-39)45-35-37-50-52-36-32-40-18-9-10-23-48(40)58(52)61(55(50)38-45)43-21-7-4-8-22-43/h3-38H,1-2H3
InChIKeyCAUKNILWQZPPNZ-UHFFFAOYSA-N
XLogP16.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847479
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
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-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 121358497
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
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-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 168781540
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-(9,9-dimethylfluoren-1-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168789249
9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358604

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine (CID 169285372) is N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc4c5ccc6ccccc6c5n(-c5ccccc5)c4c3)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine?
The InChIKey is CAUKNILWQZPPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-59(2)53-28-12-11-24-49(53)51-27-15-29-54(57(51)59)60(44-33-30-41(31-34-44)47-26-14-20-42-19-13-25-46(56(42)47)39-16-5-3-6-17-39)45-35-37-50-52-36-32-40-18-9-10-23-48(40)58(52)61(55(50)38-45)43-21-7-4-8-22-43/h3-38H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine?
N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine has a molecular weight of 779.00 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-11-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[a]carbazol-9-amine is sourced from PubChem (CID 169285372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).