9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine

C43H33N — CID 90128736

IUPAC9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine
SMILESCC1(c2ccccc2)c2cc(Cc3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21
InChIInChI=1S/C43H33N/c1-43(33-18-8-3-9-19-33)39-29-32(28-31-16-6-2-7-17-31)26-27-38(39)42-37-25-15-14-24-36(37)41(30-40(42)43)44(34-20-10-4-11-21-34)35-22-12-5-13-23-35/h2-27,29-30H,28H2,1H3
InChIKeyVANFHBCGTNXSSX-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.24
Rot. Bonds6

About 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine

9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine (PubChem CID 90128736) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine.

Molecular Properties

Compound Name9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine
PubChem CID90128736
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine
SMILESCC1(c2ccccc2)c2cc(Cc3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21
InChIInChI=1S/C43H33N/c1-43(33-18-8-3-9-19-33)39-29-32(28-31-16-6-2-7-17-31)26-27-38(39)42-37-25-15-14-24-36(37)41(30-40(42)43)44(34-20-10-4-11-21-34)35-22-12-5-13-23-35/h2-27,29-30H,28H2,1H3
InChIKeyVANFHBCGTNXSSX-UHFFFAOYSA-N
XLogP11.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

19-benzyl-12,12,22,22-tetramethyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607942
N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
CID 90129003
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine
CID 143607859
N,N,7-triphenyl-7-[7-phenyl-5-(N-phenylanilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-amine
CID 134432446
5-N,9-N-bis(4-ethylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
CID 140738193
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 130290172
5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 144612826
9-N',15-N'-bis(4-ethylphenyl)-9-N',15-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 140962756
11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 88848839
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine?
The IUPAC name of 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine (CID 90128736) is 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine.
What is the SMILES notation for 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine?
The canonical SMILES for 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine is CC1(c2ccccc2)c2cc(Cc3ccccc3)ccc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21.
What is the InChIKey of 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine?
The InChIKey is VANFHBCGTNXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-43(33-18-8-3-9-19-33)39-29-32(28-31-16-6-2-7-17-31)26-27-38(39)42-37-25-15-14-24-36(37)41(30-40(42)43)44(34-20-10-4-11-21-34)35-22-12-5-13-23-35/h2-27,29-30H,28H2,1H3.
What are the key properties of 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine?
9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine has a molecular weight of 563.74 g/mol, XLogP of 11.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine is sourced from PubChem (CID 90128736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).