ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane

C69H91BN2O2 — CID 161193308

IUPACethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane
SMILESCB(O)O.CC.CC.CC.CC.CCC.CCC.CCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C14H13N.2C13H10.2C3H8.4C2H6.CH5BO2/c2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-2;4*1-2;1-2(3)4/h2*3-10H,2H2,1H3;2*1-8H,9H2;2*3H2,1-2H3;4*1-2H3;3-4H,1H3
InChIKeyUTZXHNTXJWBBTO-UHFFFAOYSA-N
MW991.31 g/mol
LogP20.17
Rot. Bonds2

About ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane

ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane (PubChem CID 161193308) has the molecular formula C69H91BN2O2 and a molecular weight of 991.31 g/mol. Its IUPAC name is ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane.

Molecular Properties

Compound Nameethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane
PubChem CID161193308
Molecular FormulaC69H91BN2O2
Molecular Weight991.31 g/mol
Exact Mass990.72
IUPAC Nameethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane
SMILESCB(O)O.CC.CC.CC.CC.CCC.CCC.CCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C14H13N.2C13H10.2C3H8.4C2H6.CH5BO2/c2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-2;4*1-2;1-2(3)4/h2*3-10H,2H2,1H3;2*1-8H,9H2;2*3H2,1-2H3;4*1-2H3;3-4H,1H3
InChIKeyUTZXHNTXJWBBTO-UHFFFAOYSA-N
XLogP20.17
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.31
LogP ≤ 520.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole
CID 163607478
9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole
CID 91120993
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
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
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
ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium
CID 158379429
ethanamine;9H-fluorene
CID 158316259
ethane;9H-fluorene;methane;methoxyethane;propane
CID 159155851
ethane;9H-fluorene;propanoic acid
CID 90836645
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484

Frequently Asked Questions

What is the IUPAC name of ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane?
The IUPAC name of ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane (CID 161193308) is ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane.
What is the SMILES notation for ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane?
The canonical SMILES for ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane is CB(O)O.CC.CC.CC.CC.CCC.CCC.CCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane?
The InChIKey is UTZXHNTXJWBBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13N.2C13H10.2C3H8.4C2H6.CH5BO2/c2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-2;4*1-2;1-2(3)4/h2*3-10H,2H2,1H3;2*1-8H,9H2;2*3H2,1-2H3;4*1-2H3;3-4H,1H3.
What are the key properties of ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane?
ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane has a molecular weight of 991.31 g/mol, XLogP of 20.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane is sourced from PubChem (CID 161193308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).