9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole

C62H54N2 — CID 91120993

IUPAC9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole
SMILESCCc1ccc2c(c1)-c1ccccc1C2.CCc1ccc2c(c1)-c1ccccc1C2.CCn1c2ccccc2c2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H13N.2C15H14.C14H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h1-13H;2*3-9H,2,10H2,1H3;3-10H,2H2,1H3
InChIKeyPTYAOQHSULIVPI-UHFFFAOYSA-N
MW827.13 g/mol
LogP16.24
Rot. Bonds4

About 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole

9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole (PubChem CID 91120993) has the molecular formula C62H54N2 and a molecular weight of 827.13 g/mol. Its IUPAC name is 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole.

Molecular Properties

Compound Name9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole
PubChem CID91120993
Molecular FormulaC62H54N2
Molecular Weight827.13 g/mol
Exact Mass826.43
IUPAC Name9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole
SMILESCCc1ccc2c(c1)-c1ccccc1C2.CCc1ccc2c(c1)-c1ccccc1C2.CCn1c2ccccc2c2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H13N.2C15H14.C14H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h1-13H;2*3-9H,2,10H2,1H3;3-10H,2H2,1H3
InChIKeyPTYAOQHSULIVPI-UHFFFAOYSA-N
XLogP16.24
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.13
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[6-(4-ethylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 159891621
9-(9H-fluoren-3-ylmethyl)carbazole
CID 71232525
5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene
CID 118655949
3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene
CID 162241948
11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole
CID 163607478
7-ethyl-5-phenylindolo[2,3-b]carbazole
CID 139441502
ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane
CID 161193308
9-ethylcarbazole;4-ethyl-1-methyl-2-(2-methylphenyl)benzene
CID 143561149
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
9-(4-propylphenyl)-3-[6-[9-(4-propylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158482267
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole
CID 134172961

Frequently Asked Questions

What is the IUPAC name of 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole?
The IUPAC name of 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole (CID 91120993) is 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole.
What is the SMILES notation for 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole?
The canonical SMILES for 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole is CCc1ccc2c(c1)-c1ccccc1C2.CCc1ccc2c(c1)-c1ccccc1C2.CCn1c2ccccc2c2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole?
The InChIKey is PTYAOQHSULIVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N.2C15H14.C14H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h1-13H;2*3-9H,2,10H2,1H3;3-10H,2H2,1H3.
What are the key properties of 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole?
9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole has a molecular weight of 827.13 g/mol, XLogP of 16.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole is sourced from PubChem (CID 91120993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).