N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine

C61H43N — CID 170665577

IUPACN-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine
SMILESCC1(C)c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C61H43N/c1-61(2)56-36-32-41-19-9-10-24-47(41)60(56)54-34-31-44(38-57(54)61)48-29-16-30-58(59(48)42-20-7-4-8-21-42)62(45-23-15-22-43(37-45)40-17-5-3-6-18-40)46-33-35-53-51-27-12-11-25-49(51)50-26-13-14-28-52(50)55(53)39-46/h3-39H,1-2H3
InChIKeyHFVZZNNDKMRMEF-UHFFFAOYSA-N
MW790.02 g/mol
LogP17.08
Rot. Bonds6

About N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine

N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine (PubChem CID 170665577) has the molecular formula C61H43N and a molecular weight of 790.02 g/mol. Its IUPAC name is N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine
PubChem CID170665577
Molecular FormulaC61H43N
Molecular Weight790.02 g/mol
Exact Mass789.34
IUPAC NameN-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine
SMILESCC1(C)c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C61H43N/c1-61(2)56-36-32-41-19-9-10-24-47(41)60(56)54-34-31-44(38-57(54)61)48-29-16-30-58(59(48)42-20-7-4-8-21-42)62(45-23-15-22-43(37-45)40-17-5-3-6-18-40)46-33-35-53-51-27-12-11-25-49(51)50-26-13-14-28-52(50)55(53)39-46/h3-39H,1-2H3
InChIKeyHFVZZNNDKMRMEF-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.02
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129259070
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
9,9-dimethyl-N,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine
CID 156558367
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290737
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
CID 166974898
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716

Frequently Asked Questions

What is the IUPAC name of N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine (CID 170665577) is N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine is CC1(C)c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The InChIKey is HFVZZNNDKMRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N/c1-61(2)56-36-32-41-19-9-10-24-47(41)60(56)54-34-31-44(38-57(54)61)48-29-16-30-58(59(48)42-20-7-4-8-21-42)62(45-23-15-22-43(37-45)40-17-5-3-6-18-40)46-33-35-53-51-27-12-11-25-49(51)50-26-13-14-28-52(50)55(53)39-46/h3-39H,1-2H3.
What are the key properties of N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine has a molecular weight of 790.02 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 170665577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).