5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine

C51H41N — CID 144612826

IUPAC5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
SMILESCc1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(c2ccccc2)c2cc(C)c4ccccc4c2-3)cc1C
InChIInChI=1S/C51H41N/c1-34-15-11-12-20-43(34)45-29-27-41(31-35(45)2)52(40-25-23-38(24-26-40)37-16-7-5-8-17-37)42-28-30-47-48(33-42)51(4,39-18-9-6-10-19-39)49-32-36(3)44-21-13-14-22-46(44)50(47)49/h5-33H,1-4H3
InChIKeyLSTRIEJYUQAGFN-UHFFFAOYSA-N
MW667.90 g/mol
LogP13.90
Rot. Bonds6

About 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine

5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine (PubChem CID 144612826) has the molecular formula C51H41N and a molecular weight of 667.90 g/mol. Its IUPAC name is 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
PubChem CID144612826
Molecular FormulaC51H41N
Molecular Weight667.90 g/mol
Exact Mass667.32
IUPAC Name5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
SMILESCc1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(c2ccccc2)c2cc(C)c4ccccc4c2-3)cc1C
InChIInChI=1S/C51H41N/c1-34-15-11-12-20-43(34)45-29-27-41(31-35(45)2)52(40-25-23-38(24-26-40)37-16-7-5-8-17-37)42-28-30-47-48(33-42)51(4,39-18-9-6-10-19-39)49-32-36(3)44-21-13-14-22-46(44)50(47)49/h5-33H,1-4H3
InChIKeyLSTRIEJYUQAGFN-UHFFFAOYSA-N
XLogP13.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.90
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
N-(9-methyl-9-phenylfluoren-2-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062785
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146645660
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 169064284
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
CID 169063657
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025124
3,3,24,24-tetramethyl-6-N,21-N-diphenyl-6-N,21-N-bis(4-phenylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182237
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
ethane;3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025123

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine?
The IUPAC name of 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine (CID 144612826) is 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine.
What is the SMILES notation for 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine?
The canonical SMILES for 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine is Cc1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(c2ccccc2)c2cc(C)c4ccccc4c2-3)cc1C.
What is the InChIKey of 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine?
The InChIKey is LSTRIEJYUQAGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N/c1-34-15-11-12-20-43(34)45-29-27-41(31-35(45)2)52(40-25-23-38(24-26-40)37-16-7-5-8-17-37)42-28-30-47-48(33-42)51(4,39-18-9-6-10-19-39)49-32-36(3)44-21-13-14-22-46(44)50(47)49/h5-33H,1-4H3.
What are the key properties of 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine?
5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine has a molecular weight of 667.90 g/mol, XLogP of 13.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine is sourced from PubChem (CID 144612826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).