9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine

C68H49N — CID 169280346

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)c5c(c6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C68H49N/c1-67(2)60-33-19-17-29-55(60)56-44-43-54(45-62(56)67)69(52-39-35-47(36-40-52)46-21-7-3-8-22-46)53-41-37-49(38-42-53)63-57-30-15-16-31-58(57)66-65(64(63)48-23-9-4-10-24-48)59-32-18-20-34-61(59)68(66,50-25-11-5-12-26-50)51-27-13-6-14-28-51/h3-45H,1-2H3
InChIKeyZCMBIPXRSUHEHH-UHFFFAOYSA-N
MW880.15 g/mol
LogP17.98
Rot. Bonds8

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine (PubChem CID 169280346) has the molecular formula C68H49N and a molecular weight of 880.15 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
PubChem CID169280346
Molecular FormulaC68H49N
Molecular Weight880.15 g/mol
Exact Mass879.39
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)c5c(c6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C68H49N/c1-67(2)60-33-19-17-29-55(60)56-44-43-54(45-62(56)67)69(52-39-35-47(36-40-52)46-21-7-3-8-22-46)53-41-37-49(38-42-53)63-57-30-15-16-31-58(57)66-65(64(63)48-23-9-4-10-24-48)59-32-18-20-34-61(59)68(66,50-25-11-5-12-26-50)51-27-13-6-14-28-51/h3-45H,1-2H3
InChIKeyZCMBIPXRSUHEHH-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.15
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
CID 169280553
N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280540
N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine
CID 171402066
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine
CID 171401786
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline
CID 169280371
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 159953736
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175618041

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine (CID 169280346) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)c5c(c6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine?
The InChIKey is ZCMBIPXRSUHEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N/c1-67(2)60-33-19-17-29-55(60)56-44-43-54(45-62(56)67)69(52-39-35-47(36-40-52)46-21-7-3-8-22-46)53-41-37-49(38-42-53)63-57-30-15-16-31-58(57)66-65(64(63)48-23-9-4-10-24-48)59-32-18-20-34-61(59)68(66,50-25-11-5-12-26-50)51-27-13-6-14-28-51/h3-45H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine has a molecular weight of 880.15 g/mol, XLogP of 17.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 169280346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).