N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine

C62H45N — CID 169280553

IUPACN-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(ccc4c3-c3ccccc3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C62H45N/c1-61(2)55-29-17-15-27-49(55)51-36-35-48(41-57(51)61)63(47-33-31-43(32-34-47)42-19-7-3-8-20-42)58-40-39-54-52(59(58)44-21-9-4-10-22-44)37-38-53-50-28-16-18-30-56(50)62(60(53)54,45-23-11-5-12-24-45)46-25-13-6-14-26-46/h3-41H,1-2H3
InChIKeyNPGFKXKMVIUGTN-UHFFFAOYSA-N
MW804.05 g/mol
LogP16.31
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine

N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine (PubChem CID 169280553) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
PubChem CID169280553
Molecular FormulaC62H45N
Molecular Weight804.05 g/mol
Exact Mass803.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(ccc4c3-c3ccccc3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C62H45N/c1-61(2)55-29-17-15-27-49(55)51-36-35-48(41-57(51)61)63(47-33-31-43(32-34-47)42-19-7-3-8-20-42)58-40-39-54-52(59(58)44-21-9-4-10-22-44)37-38-53-50-28-16-18-30-56(50)62(60(53)54,45-23-11-5-12-24-45)46-25-13-6-14-26-46/h3-41H,1-2H3
InChIKeyNPGFKXKMVIUGTN-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.05
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
CID 169280346
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
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)-N-(2,4-diphenylphenyl)-9-phenyl-9-(4-phenylphenyl)fluoren-1-amine
CID 163731251
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
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
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine (CID 169280553) is N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(ccc4c3-c3ccccc3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine?
The InChIKey is NPGFKXKMVIUGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-61(2)55-29-17-15-27-49(55)51-36-35-48(41-57(51)61)63(47-33-31-43(32-34-47)42-19-7-3-8-20-42)58-40-39-54-52(59(58)44-21-9-4-10-22-44)37-38-53-50-28-16-18-30-56(50)62(60(53)54,45-23-11-5-12-24-45)46-25-13-6-14-26-46/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine?
N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine has a molecular weight of 804.05 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine is sourced from PubChem (CID 169280553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).