11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole

C49H63N — CID 163607478

IUPAC11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole
SMILESCC.CC.CC.CC.CCc1ccccc1CC.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
InChIInChI=1S/C17H12.C14H13N.C10H14.4C2H6/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9-7-5-6-8-10(9)4-2;4*1-2/h1-9,11H,10H2;3-10H,2H2,1H3;5-8H,3-4H2,1-2H3;4*1-2H3
InChIKeyHCZWFQAVCBZTNM-UHFFFAOYSA-N
MW666.05 g/mol
LogP15.14
Rot. Bonds3

About 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole

11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole (PubChem CID 163607478) has the molecular formula C49H63N and a molecular weight of 666.05 g/mol. Its IUPAC name is 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole.

Molecular Properties

Compound Name11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole
PubChem CID163607478
Molecular FormulaC49H63N
Molecular Weight666.05 g/mol
Exact Mass665.50
IUPAC Name11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole
SMILESCC.CC.CC.CC.CCc1ccccc1CC.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
InChIInChI=1S/C17H12.C14H13N.C10H14.4C2H6/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9-7-5-6-8-10(9)4-2;4*1-2/h1-9,11H,10H2;3-10H,2H2,1H3;5-8H,3-4H2,1-2H3;4*1-2H3
InChIKeyHCZWFQAVCBZTNM-UHFFFAOYSA-N
XLogP15.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.05
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane
CID 161193308
3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene
CID 162241948
9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole
CID 91120993
22-ethyl-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 122464018
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122463997
9-(9H-fluoren-3-ylmethyl)carbazole
CID 71232525
4-ethyl-9-(9H-fluoren-2-ylmethyl)carbazole
CID 118149247
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
3-ethyl-9-(9H-fluoren-1-ylmethyl)carbazole
CID 118149246
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene;10-ethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;10-ethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,11,13,15(23),17,19,21-undecaene;16-ethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene;22-ethyl-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;22-ethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 158234345
1-ethyl-9-(9H-fluoren-1-ylmethyl)carbazole
CID 118149245
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 122464016

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole?
The IUPAC name of 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole (CID 163607478) is 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole.
What is the SMILES notation for 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole?
The canonical SMILES for 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole is CC.CC.CC.CC.CCc1ccccc1CC.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.
What is the InChIKey of 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole?
The InChIKey is HCZWFQAVCBZTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12.C14H13N.C10H14.4C2H6/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9-7-5-6-8-10(9)4-2;4*1-2/h1-9,11H,10H2;3-10H,2H2,1H3;5-8H,3-4H2,1-2H3;4*1-2H3.
What are the key properties of 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole?
11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole has a molecular weight of 666.05 g/mol, XLogP of 15.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole is sourced from PubChem (CID 163607478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).