9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole

C49H43N — CID 144578625

IUPAC9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole
SMILESC/C=C1C(=C/C=C/n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5)ccc32)\c2cccc(C3=C(CC)CCC=C3)c2C\1(C)C
InChIInChI=1S/C49H43N/c1-5-32-15-7-9-17-37(32)41-20-13-21-42-39(45(6-2)49(3,4)48(41)42)22-14-28-50-46-23-12-11-19-40(46)44-31-34(26-27-47(44)50)33-24-25-36-29-35-16-8-10-18-38(35)43(36)30-33/h6,8-14,16-28,30-31H,5,7,15,29H2,1-4H3/b28-14+,39-22-,45-6+
InChIKeyIGUKOLNPJOKAMT-VMWLBPDZSA-N
MW645.89 g/mol
LogP13.34
Rot. Bonds5

About 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole

9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole (PubChem CID 144578625) has the molecular formula C49H43N and a molecular weight of 645.89 g/mol. Its IUPAC name is 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole.

Molecular Properties

Compound Name9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole
PubChem CID144578625
Molecular FormulaC49H43N
Molecular Weight645.89 g/mol
Exact Mass645.34
IUPAC Name9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole
SMILESC/C=C1C(=C/C=C/n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5)ccc32)\c2cccc(C3=C(CC)CCC=C3)c2C\1(C)C
InChIInChI=1S/C49H43N/c1-5-32-15-7-9-17-37(32)41-20-13-21-42-39(45(6-2)49(3,4)48(41)42)22-14-28-50-46-23-12-11-19-40(46)44-31-34(26-27-47(44)50)33-24-25-36-29-35-16-8-10-18-38(35)43(36)30-33/h6,8-14,16-28,30-31H,5,7,15,29H2,1-4H3/b28-14+,39-22-,45-6+
InChIKeyIGUKOLNPJOKAMT-VMWLBPDZSA-N
XLogP13.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene
CID 144802928
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-(9H-fluoren-3-yl)aniline
CID 118963221
9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158090751
9-[4-[6-(4-ethylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 159891621
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
3-(18-chloro-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl)-9-phenylcarbazole
CID 146886402
9-(4-propylphenyl)-3-[6-[9-(4-propylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158482267
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 144605224
6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650

Frequently Asked Questions

What is the IUPAC name of 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole?
The IUPAC name of 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole (CID 144578625) is 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole.
What is the SMILES notation for 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole?
The canonical SMILES for 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole is C/C=C1C(=C/C=C/n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5)ccc32)\c2cccc(C3=C(CC)CCC=C3)c2C\1(C)C.
What is the InChIKey of 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole?
The InChIKey is IGUKOLNPJOKAMT-VMWLBPDZSA-N. The full InChI is InChI=1S/C49H43N/c1-5-32-15-7-9-17-37(32)41-20-13-21-42-39(45(6-2)49(3,4)48(41)42)22-14-28-50-46-23-12-11-19-40(46)44-31-34(26-27-47(44)50)33-24-25-36-29-35-16-8-10-18-38(35)43(36)30-33/h6,8-14,16-28,30-31H,5,7,15,29H2,1-4H3/b28-14+,39-22-,45-6+.
What are the key properties of 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole?
9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole has a molecular weight of 645.89 g/mol, XLogP of 13.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E,3E)-3-[(2Z)-4-(2-ethylcyclohexa-1,5-dien-1-yl)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-1-enyl]-3-(9H-fluoren-3-yl)carbazole is sourced from PubChem (CID 144578625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).