9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine

C47H39N3 — CID 71017120

IUPAC9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine
SMILESCCn1c2c(c3cc(C4(c5ccc6c(c5)c5ccccc5n6CC)c5ccccc5N(c5ccccc5)c5ccccc54)ccc31)CCC=C2
InChIInChI=1S/C47H39N3/c1-3-48-41-22-12-8-18-35(41)37-30-32(26-28-43(37)48)47(33-27-29-44-38(31-33)36-19-9-13-23-42(36)49(44)4-2)39-20-10-14-24-45(39)50(34-16-6-5-7-17-34)46-25-15-11-21-40(46)47/h5-8,10-18,20-31H,3-4,9,19H2,1-2H3
InChIKeyXTNSFVLNIVWFJM-UHFFFAOYSA-N
MW645.85 g/mol
LogP11.91
Rot. Bonds5

About 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine

9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine (PubChem CID 71017120) has the molecular formula C47H39N3 and a molecular weight of 645.85 g/mol. Its IUPAC name is 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine.

Molecular Properties

Compound Name9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine
PubChem CID71017120
Molecular FormulaC47H39N3
Molecular Weight645.85 g/mol
Exact Mass645.31
IUPAC Name9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine
SMILESCCn1c2c(c3cc(C4(c5ccc6c(c5)c5ccccc5n6CC)c5ccccc5N(c5ccccc5)c5ccccc54)ccc31)CCC=C2
InChIInChI=1S/C47H39N3/c1-3-48-41-22-12-8-18-35(41)37-30-32(26-28-43(37)48)47(33-27-29-44-38(31-33)36-19-9-13-23-42(36)49(44)4-2)39-20-10-14-24-45(39)50(34-16-6-5-7-17-34)46-25-15-11-21-40(46)47/h5-8,10-18,20-31H,3-4,9,19H2,1-2H3
InChIKeyXTNSFVLNIVWFJM-UHFFFAOYSA-N
XLogP11.91
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.85
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-ethyl-3,6-bis(9-ethylcarbazol-3-yl)carbazole;3-(9-ethylcarbazol-3-yl)-9-[4-[4-[3-(9-ethyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157190296
10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine
CID 59470098
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 146334259
N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166844754
1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid
CID 117473482
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-prop-2-enyl-3,4-dihydrocarbazole
CID 163625647
9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
CID 146909198

Frequently Asked Questions

What is the IUPAC name of 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine?
The IUPAC name of 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine (CID 71017120) is 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine.
What is the SMILES notation for 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine?
The canonical SMILES for 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine is CCn1c2c(c3cc(C4(c5ccc6c(c5)c5ccccc5n6CC)c5ccccc5N(c5ccccc5)c5ccccc54)ccc31)CCC=C2.
What is the InChIKey of 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine?
The InChIKey is XTNSFVLNIVWFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N3/c1-3-48-41-22-12-8-18-35(41)37-30-32(26-28-43(37)48)47(33-27-29-44-38(31-33)36-19-9-13-23-42(36)49(44)4-2)39-20-10-14-24-45(39)50(34-16-6-5-7-17-34)46-25-15-11-21-40(46)47/h5-8,10-18,20-31H,3-4,9,19H2,1-2H3.
What are the key properties of 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine?
9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine has a molecular weight of 645.85 g/mol, XLogP of 11.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-ethylcarbazol-3-yl)-9-(9-ethyl-5,6-dihydrocarbazol-3-yl)-10-phenylacridine is sourced from PubChem (CID 71017120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).