3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole

C53H40N2 — CID 174270351

IUPAC3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole
SMILESCCc1ccccc1-c1ccc2c(c1CCc1cccc3c1Cc1ccccc1-3)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C53H40N2/c1-2-35-15-6-8-20-40(35)43-30-32-52-53(45(43)29-27-36-17-14-24-42-41-21-9-7-16-37(41)33-47(36)42)46-23-11-13-26-50(46)55(52)39-28-31-51-48(34-39)44-22-10-12-25-49(44)54(51)38-18-4-3-5-19-38/h3-26,28,30-32,34H,2,27,29,33H2,1H3
InChIKeyUUIMHBHQQHHCFS-UHFFFAOYSA-N
MW704.92 g/mol
LogP13.47
Rot. Bonds7

About 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole

3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 174270351) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID174270351
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC Name3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole
SMILESCCc1ccccc1-c1ccc2c(c1CCc1cccc3c1Cc1ccccc1-3)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C53H40N2/c1-2-35-15-6-8-20-40(35)43-30-32-52-53(45(43)29-27-36-17-14-24-42-41-21-9-7-16-37(41)33-47(36)42)46-23-11-13-26-50(46)55(52)39-28-31-51-48(34-39)44-22-10-12-25-49(44)54(51)38-18-4-3-5-19-38/h3-26,28,30-32,34H,2,27,29,33H2,1H3
InChIKeyUUIMHBHQQHHCFS-UHFFFAOYSA-N
XLogP13.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397
9-[7-(9H-fluoren-2-yl)-9H-fluoren-2-yl]-14-phenyl-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 170285115
5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole
CID 161288735
bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane
CID 58489573
5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
9-(9H-fluoren-1-yl)-14-(3-phenylphenyl)-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;9-(9H-fluoren-2-yl)-14-(3-phenylphenyl)-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;9-(9H-fluoren-3-yl)-14-(3-phenylphenyl)-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;9-(9H-fluoren-3-yl)-14-(4-phenylphenyl)-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;9-(9H-fluoren-4-yl)-14-(3-phenylphenyl)-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;9-(9H-fluoren-4-yl)-14-(4-phenylphenyl)-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 163654344
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122434437
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole (CID 174270351) is 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole is CCc1ccccc1-c1ccc2c(c1CCc1cccc3c1Cc1ccccc1-3)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is UUIMHBHQQHHCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2/c1-2-35-15-6-8-20-40(35)43-30-32-52-53(45(43)29-27-36-17-14-24-42-41-21-9-7-16-37(41)33-47(36)42)46-23-11-13-26-50(46)55(52)39-28-31-51-48(34-39)44-22-10-12-25-49(44)54(51)38-18-4-3-5-19-38/h3-26,28,30-32,34H,2,27,29,33H2,1H3.
What are the key properties of 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole?
3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 704.92 g/mol, XLogP of 13.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-4-[2-(9H-fluoren-1-yl)ethyl]-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 174270351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).