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

C52H42N2 — CID 144619407

IUPAC3-[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
SMILESC=Cc1c(/C=C\C)n(-c2ccc(C)c(C3=C(C)CCC=C3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)-c3ccccc3C4)cc12
InChIInChI=1S/C52H42N2/c1-5-13-49-41(6-2)47-29-35(22-26-51(47)53(49)39-24-20-34(4)45(31-39)42-16-9-7-14-33(42)3)36-23-27-52-48(30-36)44-18-11-12-19-50(44)54(52)40-25-21-38-28-37-15-8-10-17-43(37)46(38)32-40/h5-6,8-13,15-27,29-32H,2,7,14,28H2,1,3-4H3/b13-5-
InChIKeyHBFDSSULDKEOFD-ACAGNQJTSA-N
MW694.92 g/mol
LogP14.07
Rot. Bonds6

About 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

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 (PubChem CID 144619407) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID144619407
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC Name3-[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
SMILESC=Cc1c(/C=C\C)n(-c2ccc(C)c(C3=C(C)CCC=C3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)-c3ccccc3C4)cc12
InChIInChI=1S/C52H42N2/c1-5-13-49-41(6-2)47-29-35(22-26-51(47)53(49)39-24-20-34(4)45(31-39)42-16-9-7-14-33(42)3)36-23-27-52-48(30-36)44-18-11-12-19-50(44)54(52)40-25-21-38-28-37-15-8-10-17-43(37)46(38)32-40/h5-6,8-13,15-27,29-32H,2,7,14,28H2,1,3-4H3/b13-5-
InChIKeyHBFDSSULDKEOFD-ACAGNQJTSA-N
XLogP14.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
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-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163468224
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 166969507
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
9-(4-propylphenyl)-3-[6-[9-(4-propylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158482267

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1c(/C=C\C)n(-c2ccc(C)c(C3=C(C)CCC=C3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)-c3ccccc3C4)cc12.
What is the InChIKey of 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?
The InChIKey is HBFDSSULDKEOFD-ACAGNQJTSA-N. The full InChI is InChI=1S/C52H42N2/c1-5-13-49-41(6-2)47-29-35(22-26-51(47)53(49)39-24-20-34(4)45(31-39)42-16-9-7-14-33(42)3)36-23-27-52-48(30-36)44-18-11-12-19-50(44)54(52)40-25-21-38-28-37-15-8-10-17-43(37)46(38)32-40/h5-6,8-13,15-27,29-32H,2,7,14,28H2,1,3-4H3/b13-5-.
What are the key properties of 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?
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 has a molecular weight of 694.92 g/mol, XLogP of 14.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144619407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).