N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane

C58H58N2O — CID 144613168

IUPACN-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane
SMILESC=Cc1oc2ccc(N(c3ccc(CC)cc3)c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccc(C)cc6c6cc(C)ccc65)c5ccccc5c3-4)cc2c1/C=C\C.CC.CC
InChIInChI=1S/C54H46N2O.2C2H6/c1-8-13-40-45-30-37(23-27-52(45)57-51(40)10-3)55(36-20-18-35(9-2)19-21-36)38-22-24-42-46(31-38)54(6,7)47-32-50(39-14-11-12-15-41(39)53(42)47)56-48-25-16-33(4)28-43(48)44-29-34(5)17-26-49(44)56;2*1-2/h8,10-32H,3,9H2,1-2,4-7H3;2*1-2H3/b13-8-;;
InChIKeyVIQDFOXZFOVXRN-KEZMYAPCSA-N
MW799.11 g/mol
LogP17.37
Rot. Bonds7

About N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane

N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane (PubChem CID 144613168) has the molecular formula C58H58N2O and a molecular weight of 799.11 g/mol. Its IUPAC name is N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane.

Molecular Properties

Compound NameN-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane
PubChem CID144613168
Molecular FormulaC58H58N2O
Molecular Weight799.11 g/mol
Exact Mass798.45
IUPAC NameN-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane
SMILESC=Cc1oc2ccc(N(c3ccc(CC)cc3)c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccc(C)cc6c6cc(C)ccc65)c5ccccc5c3-4)cc2c1/C=C\C.CC.CC
InChIInChI=1S/C54H46N2O.2C2H6/c1-8-13-40-45-30-37(23-27-52(45)57-51(40)10-3)55(36-20-18-35(9-2)19-21-36)38-22-24-42-46(31-38)54(6,7)47-32-50(39-14-11-12-15-41(39)53(42)47)56-48-25-16-33(4)28-43(48)44-29-34(5)17-26-49(44)56;2*1-2/h8,10-32H,3,9H2,1-2,4-7H3;2*1-2H3/b13-8-;;
InChIKeyVIQDFOXZFOVXRN-KEZMYAPCSA-N
XLogP17.37
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.11
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane with MolForge

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Related Compounds

2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran;9-methyl-N-(4-methylphenyl)-N-naphthalen-1-yl-7,7-diphenylbenzo[c]fluoren-5-amine;toluene
CID 144614123
5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 126498123
2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613327
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350
N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
N-(9,9-dimethylfluoren-2-yl)-N-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine
CID 144907267
N-[4-[2-ethenyl-1-(3-methylphenyl)-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118487124
7-(12,12,19,22,22-pentamethyl-9-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)benzo[c]carbazole
CID 143607853
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
CID 23593295
N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 144907086
5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
CID 59412990

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane?
The IUPAC name of N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane (CID 144613168) is N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane.
What is the SMILES notation for N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane?
The canonical SMILES for N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane is C=Cc1oc2ccc(N(c3ccc(CC)cc3)c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccc(C)cc6c6cc(C)ccc65)c5ccccc5c3-4)cc2c1/C=C\C.CC.CC.
What is the InChIKey of N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane?
The InChIKey is VIQDFOXZFOVXRN-KEZMYAPCSA-N. The full InChI is InChI=1S/C54H46N2O.2C2H6/c1-8-13-40-45-30-37(23-27-52(45)57-51(40)10-3)55(36-20-18-35(9-2)19-21-36)38-22-24-42-46(31-38)54(6,7)47-32-50(39-14-11-12-15-41(39)53(42)47)56-48-25-16-33(4)28-43(48)44-29-34(5)17-26-49(44)56;2*1-2/h8,10-32H,3,9H2,1-2,4-7H3;2*1-2H3/b13-8-;;.
What are the key properties of N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane?
N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane has a molecular weight of 799.11 g/mol, XLogP of 17.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane is sourced from PubChem (CID 144613168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).