N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline

C38H39N — CID 123296863

IUPACN-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline
SMILESCCC(CC)(Nc1ccc(C)cc1C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)c3ccccc3c1-2
InChIInChI=1S/C38H39N/c1-7-38(8-2,39-35-21-18-25(3)22-26(35)4)28-19-20-31-33(23-28)37(5,6)34-24-32(27-14-10-9-11-15-27)29-16-12-13-17-30(29)36(31)34/h9-24,39H,7-8H2,1-6H3
InChIKeyOHORMRYBEPOFFY-UHFFFAOYSA-N
MW509.74 g/mol
LogP10.56
Rot. Bonds6

About N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline

N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline (PubChem CID 123296863) has the molecular formula C38H39N and a molecular weight of 509.74 g/mol. Its IUPAC name is N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline
PubChem CID123296863
Molecular FormulaC38H39N
Molecular Weight509.74 g/mol
Exact Mass509.31
IUPAC NameN-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline
SMILESCCC(CC)(Nc1ccc(C)cc1C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)c3ccccc3c1-2
InChIInChI=1S/C38H39N/c1-7-38(8-2,39-35-21-18-25(3)22-26(35)4)28-19-20-31-33(23-28)37(5,6)34-24-32(27-14-10-9-11-15-27)29-16-12-13-17-30(29)36(31)34/h9-24,39H,7-8H2,1-6H3
InChIKeyOHORMRYBEPOFFY-UHFFFAOYSA-N
XLogP10.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.74
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene
CID 144614028
9-[7-(12,12-dimethyl-15-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479637
2,5-bis(12,12,22,22-tetramethyl-9-phenyl-19-hexacyclo[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-undecaenyl)thiophene
CID 134271458
5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene
CID 140736051
5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 90297078
10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine
CID 90368522
5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 161049206
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
9-(12,12-dimethyl-15-naphthalen-1-yl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479675
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390

Frequently Asked Questions

What is the IUPAC name of N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline?
The IUPAC name of N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline (CID 123296863) is N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline.
What is the SMILES notation for N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline?
The canonical SMILES for N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline is CCC(CC)(Nc1ccc(C)cc1C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)c3ccccc3c1-2.
What is the InChIKey of N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline?
The InChIKey is OHORMRYBEPOFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N/c1-7-38(8-2,39-35-21-18-25(3)22-26(35)4)28-19-20-31-33(23-28)37(5,6)34-24-32(27-14-10-9-11-15-27)29-16-12-13-17-30(29)36(31)34/h9-24,39H,7-8H2,1-6H3.
What are the key properties of N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline?
N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline has a molecular weight of 509.74 g/mol, XLogP of 10.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline is sourced from PubChem (CID 123296863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).