6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine

C64H52N2 — CID 89000040

IUPAC6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine
SMILESCc1ccc(-c2c3ccc(N4c5ccccc5CCc5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N(c4ccccc4)c4ccccc4C)cc23)cc1C
InChIInChI=1S/C64H52N2/c1-41-27-28-46(37-43(41)3)62-53-36-33-50(66-60-25-15-10-18-44(60)29-30-45-19-11-16-26-61(45)66)40-56(53)63(47-31-34-52-51-22-12-13-23-57(51)64(4,5)58(52)38-47)54-35-32-49(39-55(54)62)65(48-20-7-6-8-21-48)59-24-14-9-17-42(59)2/h6-28,31-40H,29-30H2,1-5H3
InChIKeyRYVVXBHQDWZRMA-UHFFFAOYSA-N
MW849.13 g/mol
LogP17.60
Rot. Bonds6

About 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine

6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine (PubChem CID 89000040) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine.

Molecular Properties

Compound Name6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine
PubChem CID89000040
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC Name6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine
SMILESCc1ccc(-c2c3ccc(N4c5ccccc5CCc5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N(c4ccccc4)c4ccccc4C)cc23)cc1C
InChIInChI=1S/C64H52N2/c1-41-27-28-46(37-43(41)3)62-53-36-33-50(66-60-25-15-10-18-44(60)29-30-45-19-11-16-26-61(45)66)40-56(53)63(47-31-34-52-51-22-12-13-23-57(51)64(4,5)58(52)38-47)54-35-32-49(39-55(54)62)65(48-20-7-6-8-21-48)59-24-14-9-17-42(59)2/h6-28,31-40H,29-30H2,1-5H3
InChIKeyRYVVXBHQDWZRMA-UHFFFAOYSA-N
XLogP17.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59219558
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
10-[6-(9H-acridin-10-yl)-9,10-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-9H-acridine
CID 59220847
10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220091
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
N-(4-carbazol-9-ylphenyl)-7-[10-(9,9-dimethylfluoren-2-yl)-2-methylanthracen-9-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 161254019
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59219940
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220433
N-(4-carbazol-9-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-N-phenylnaphthalen-1-amine
CID 161429717
N-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 177080053
11-[10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89110850

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine?
The IUPAC name of 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine (CID 89000040) is 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine.
What is the SMILES notation for 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine?
The canonical SMILES for 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine is Cc1ccc(-c2c3ccc(N4c5ccccc5CCc5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N(c4ccccc4)c4ccccc4C)cc23)cc1C.
What is the InChIKey of 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine?
The InChIKey is RYVVXBHQDWZRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-41-27-28-46(37-43(41)3)62-53-36-33-50(66-60-25-15-10-18-44(60)29-30-45-19-11-16-26-61(45)66)40-56(53)63(47-31-34-52-51-22-12-13-23-57(51)64(4,5)58(52)38-47)54-35-32-49(39-55(54)62)65(48-20-7-6-8-21-48)59-24-14-9-17-42(59)2/h6-28,31-40H,29-30H2,1-5H3.
What are the key properties of 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine?
6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine has a molecular weight of 849.13 g/mol, XLogP of 17.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-(9,9-dimethylfluoren-2-yl)-9-(3,4-dimethylphenyl)-N-(2-methylphenyl)-N-phenylanthracen-2-amine is sourced from PubChem (CID 89000040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).