9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane

C50H42N2S — CID 143599001

IUPAC9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane
SMILESC=CCc1ccc2c(c1)c1c(n2-c2cc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc(-n3c(/C=C\C)c(C=C)c4cc(CC=C)ccc43)c2)C=C=C=C1.S
InChIInChI=1S/C50H40N2.H2S/c1-5-13-33-20-24-49-45(26-33)41(8-4)47(15-7-3)51(49)39-29-38(35-22-23-37-28-36-16-9-10-17-42(36)44(37)31-35)30-40(32-39)52-48-19-12-11-18-43(48)46-27-34(14-6-2)21-25-50(46)52;/h5-8,10,15,17-27,29-32H,1-2,4,9,13-14,16,28H2,3H3;1H2/b15-7-;
InChIKeyUMTCLAPOMPYZBJ-DFPPEFKWSA-N
MW702.97 g/mol
LogP12.94
Rot. Bonds9

About 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane

9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane (PubChem CID 143599001) has the molecular formula C50H42N2S and a molecular weight of 702.97 g/mol. Its IUPAC name is 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane.

Molecular Properties

Compound Name9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane
PubChem CID143599001
Molecular FormulaC50H42N2S
Molecular Weight702.97 g/mol
Exact Mass702.31
IUPAC Name9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane
SMILESC=CCc1ccc2c(c1)c1c(n2-c2cc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc(-n3c(/C=C\C)c(C=C)c4cc(CC=C)ccc43)c2)C=C=C=C1.S
InChIInChI=1S/C50H40N2.H2S/c1-5-13-33-20-24-49-45(26-33)41(8-4)47(15-7-3)51(49)39-29-38(35-22-23-37-28-36-16-9-10-17-42(36)44(37)31-35)30-40(32-39)52-48-19-12-11-18-43(48)46-27-34(14-6-2)21-25-50(46)52;/h5-8,10,15,17-27,29-32H,1-2,4,9,13-14,16,28H2,3H3;1H2/b15-7-;
InChIKeyUMTCLAPOMPYZBJ-DFPPEFKWSA-N
XLogP12.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.97
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-ethenyl-1-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(9H-fluoren-3-yl)carbazole
CID 144619407
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 144605224
3-(8,9-dihydro-7H-fluoren-3-yl)-9-phenyl-6-[9-phenyl-6-[2-[2-[4-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenoxy]carbazol-3-yl]carbazole
CID 144644382
4-[6-[(2Z)-2-[(2E)-2-ethylidene-1-(4-phenylphenyl)-4,5-dihydroindol-3-ylidene]ethyl]-8,9-dihydro-7H-fluoren-3-yl]benzonitrile
CID 135233648
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
CID 144541454
CID 144541454
3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole
CID 138672161
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
2,3-bis(ethenyl)-1-(4-phenylphenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)indole;buta-1,3-diene;(Z)-but-2-ene;ethane
CID 142292984
ethane;2-ethenyl-1-[4-[4-[(E)-hept-2-en-6-yn-3-yl]phenyl]phenyl]-5-methyl-4-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indole;6-(4-methylphenyl)-1,2-dihydronaphthalene
CID 142551581

Frequently Asked Questions

What is the IUPAC name of 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane?
The IUPAC name of 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane (CID 143599001) is 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane.
What is the SMILES notation for 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane?
The canonical SMILES for 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane is C=CCc1ccc2c(c1)c1c(n2-c2cc(-c3ccc4c(c3)C3=C(CCC=C3)C4)cc(-n3c(/C=C\C)c(C=C)c4cc(CC=C)ccc43)c2)C=C=C=C1.S.
What is the InChIKey of 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane?
The InChIKey is UMTCLAPOMPYZBJ-DFPPEFKWSA-N. The full InChI is InChI=1S/C50H40N2.H2S/c1-5-13-33-20-24-49-45(26-33)41(8-4)47(15-7-3)51(49)39-29-38(35-22-23-37-28-36-16-9-10-17-42(36)44(37)31-35)30-40(32-39)52-48-19-12-11-18-43(48)46-27-34(14-6-2)21-25-50(46)52;/h5-8,10,15,17-27,29-32H,1-2,4,9,13-14,16,28H2,3H3;1H2/b15-7-;.
What are the key properties of 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane?
9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane has a molecular weight of 702.97 g/mol, XLogP of 12.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(8,9-dihydro-7H-fluoren-3-yl)-5-[3-ethenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylindol-1-yl]phenyl]-3-prop-2-enylcarbazole;sulfane is sourced from PubChem (CID 143599001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).