butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine

C67H83N — CID 144614432

IUPACbutane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine
SMILESCC.CC.CC.CCCC.CCc1ccc2c(c1)C(CC)c1ccccc1-2.Cc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(C)C)cc1.Cc1ccccc1
InChIInChI=1S/C33H29N.C17H18.C7H8.C4H10.3C2H6/c1-22-14-17-25(18-15-22)34(24-10-6-5-7-11-24)31-21-30-32(27-13-9-8-12-26(27)31)28-19-16-23(2)20-29(28)33(30,3)4;1-3-12-9-10-16-15-8-6-5-7-14(15)13(4-2)17(16)11-12;1-7-5-3-2-4-6-7;1-3-4-2;3*1-2/h5-21H,1-4H3;5-11,13H,3-4H2,1-2H3;2-6H,1H3;3-4H2,1-2H3;3*1-2H3
InChIKeyAFJKJGKYIDHKPA-UHFFFAOYSA-N
MW902.41 g/mol
LogP20.88
Rot. Bonds6

About butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine

butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine (PubChem CID 144614432) has the molecular formula C67H83N and a molecular weight of 902.41 g/mol. Its IUPAC name is butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine.

Molecular Properties

Compound Namebutane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine
PubChem CID144614432
Molecular FormulaC67H83N
Molecular Weight902.41 g/mol
Exact Mass901.65
IUPAC Namebutane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine
SMILESCC.CC.CC.CCCC.CCc1ccc2c(c1)C(CC)c1ccccc1-2.Cc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(C)C)cc1.Cc1ccccc1
InChIInChI=1S/C33H29N.C17H18.C7H8.C4H10.3C2H6/c1-22-14-17-25(18-15-22)34(24-10-6-5-7-11-24)31-21-30-32(27-13-9-8-12-26(27)31)28-19-16-23(2)20-29(28)33(30,3)4;1-3-12-9-10-16-15-8-6-5-7-14(15)13(4-2)17(16)11-12;1-7-5-3-2-4-6-7;1-3-4-2;3*1-2/h5-21H,1-4H3;5-11,13H,3-4H2,1-2H3;2-6H,1H3;3-4H2,1-2H3;3*1-2H3
InChIKeyAFJKJGKYIDHKPA-UHFFFAOYSA-N
XLogP20.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.41
LogP ≤ 520.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,9-diethyl-9H-fluorene;ethane;2-methyldibenzothiophene;7,7,9-trimethyl-N,N-bis(3-methylphenyl)benzo[c]fluoren-5-amine
CID 144614565
N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
CID 144614559
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
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
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
9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[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 143607873
7,7,9-trimethyl-N-[3-methyl-4-[(2Z,4Z)-6-methylhepta-2,4,6-trienyl]phenyl]-N-phenylbenzo[c]fluoren-5-amine
CID 144613777
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-amine
CID 145144997
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine
CID 144614134

Frequently Asked Questions

What is the IUPAC name of butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine?
The IUPAC name of butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine (CID 144614432) is butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine.
What is the SMILES notation for butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine?
The canonical SMILES for butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine is CC.CC.CC.CCCC.CCc1ccc2c(c1)C(CC)c1ccccc1-2.Cc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(C)C)cc1.Cc1ccccc1.
What is the InChIKey of butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine?
The InChIKey is AFJKJGKYIDHKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N.C17H18.C7H8.C4H10.3C2H6/c1-22-14-17-25(18-15-22)34(24-10-6-5-7-11-24)31-21-30-32(27-13-9-8-12-26(27)31)28-19-16-23(2)20-29(28)33(30,3)4;1-3-12-9-10-16-15-8-6-5-7-14(15)13(4-2)17(16)11-12;1-7-5-3-2-4-6-7;1-3-4-2;3*1-2/h5-21H,1-4H3;5-11,13H,3-4H2,1-2H3;2-6H,1H3;3-4H2,1-2H3;3*1-2H3.
What are the key properties of butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine?
butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine has a molecular weight of 902.41 g/mol, XLogP of 20.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,9-diethyl-9H-fluorene;ethane;toluene;7,7,9-trimethyl-N-(4-methylphenyl)-N-phenylbenzo[c]fluoren-5-amine is sourced from PubChem (CID 144614432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).