9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole

C41H34N2 — CID 14093933

IUPAC9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21
InChIInChI=1S/C41H34N2/c1-3-42-37-16-10-8-14-33(37)35-26-31(22-24-39(35)42)41(30-20-18-29(19-21-30)28-12-6-5-7-13-28)32-23-25-40-36(27-32)34-15-9-11-17-38(34)43(40)4-2/h5-27,41H,3-4H2,1-2H3
InChIKeyGZVFGNNZTMZJQJ-UHFFFAOYSA-N
MW554.74 g/mol
LogP10.79
Rot. Bonds6

About 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole

9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole (PubChem CID 14093933) has the molecular formula C41H34N2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
PubChem CID14093933
Molecular FormulaC41H34N2
Molecular Weight554.74 g/mol
Exact Mass554.27
IUPAC Name9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21
InChIInChI=1S/C41H34N2/c1-3-42-37-16-10-8-14-33(37)35-26-31(22-24-39(35)42)41(30-20-18-29(19-21-30)28-12-6-5-7-13-28)32-23-25-40-36(27-32)34-15-9-11-17-38(34)43(40)4-2/h5-27,41H,3-4H2,1-2H3
InChIKeyGZVFGNNZTMZJQJ-UHFFFAOYSA-N
XLogP10.79
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
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1-(9-ethylcarbazol-3-yl)propane-1,2,3-triol
CID 170819012
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
(1R)-1-(9-ethylcarbazol-3-yl)-2-fluoroethanamine;hydrochloride
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3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 139542507
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522301
(R)-cyclopropyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213067
3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
CID 170829191

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole?
The IUPAC name of 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole (CID 14093933) is 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole is CCn1c2ccccc2c2cc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21.
What is the InChIKey of 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole?
The InChIKey is GZVFGNNZTMZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2/c1-3-42-37-16-10-8-14-33(37)35-26-31(22-24-39(35)42)41(30-20-18-29(19-21-30)28-12-6-5-7-13-28)32-23-25-40-36(27-32)34-15-9-11-17-38(34)43(40)4-2/h5-27,41H,3-4H2,1-2H3.
What are the key properties of 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole?
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole has a molecular weight of 554.74 g/mol, XLogP of 10.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole is sourced from PubChem (CID 14093933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).