3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole

C94H73N5 — CID 163418065

IUPAC3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8cc(-c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)c9)cc9c%10ccccc%10n(CC)c89)ccc6n7CC)c5)c4)c3)ccc21
InChIInChI=1S/C94H73N5/c1-6-95-85-32-15-11-28-74(85)79-52-65(36-41-89(79)95)63-26-20-24-61(47-63)59-22-19-23-60(46-59)62-25-21-27-64(48-62)66-37-42-92-82(53-66)83-56-69(40-45-93(83)98(92)9-4)78-57-73(58-84-77-31-14-18-35-88(77)99(10-5)94(78)84)72-50-70(67-38-43-90-80(54-67)75-29-12-16-33-86(75)96(90)7-2)49-71(51-72)68-39-44-91-81(55-68)76-30-13-17-34-87(76)97(91)8-3/h11-58H,6-10H2,1-5H3
InChIKeyAGCSSTLWSKMLIV-UHFFFAOYSA-N
MW1272.65 g/mol
LogP25.66
Rot. Bonds13

About 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole

3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole (PubChem CID 163418065) has the molecular formula C94H73N5 and a molecular weight of 1272.65 g/mol. Its IUPAC name is 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
PubChem CID163418065
Molecular FormulaC94H73N5
Molecular Weight1272.65 g/mol
Exact Mass1271.59
IUPAC Name3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8cc(-c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)c9)cc9c%10ccccc%10n(CC)c89)ccc6n7CC)c5)c4)c3)ccc21
InChIInChI=1S/C94H73N5/c1-6-95-85-32-15-11-28-74(85)79-52-65(36-41-89(79)95)63-26-20-24-61(47-63)59-22-19-23-60(46-59)62-25-21-27-64(48-62)66-37-42-92-82(53-66)83-56-69(40-45-93(83)98(92)9-4)78-57-73(58-84-77-31-14-18-35-88(77)99(10-5)94(78)84)72-50-70(67-38-43-90-80(54-67)75-29-12-16-33-86(75)96(90)7-2)49-71(51-72)68-39-44-91-81(55-68)76-30-13-17-34-87(76)97(91)8-3/h11-58H,6-10H2,1-5H3
InChIKeyAGCSSTLWSKMLIV-UHFFFAOYSA-N
XLogP25.66
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001272.65
LogP ≤ 525.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole with MolForge

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Related Compounds

9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038560
9-ethyl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189334
9-ethyl-1,3,6-tripyridin-4-ylcarbazole
CID 141362770
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole
CID 163643695
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
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

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole (CID 163418065) is 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole is CCn1c2ccccc2c2cc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8cc(-c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC)c9)cc9c%10ccccc%10n(CC)c89)ccc6n7CC)c5)c4)c3)ccc21.
What is the InChIKey of 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole?
The InChIKey is AGCSSTLWSKMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H73N5/c1-6-95-85-32-15-11-28-74(85)79-52-65(36-41-89(79)95)63-26-20-24-61(47-63)59-22-19-23-60(46-59)62-25-21-27-64(48-62)66-37-42-92-82(53-66)83-56-69(40-45-93(83)98(92)9-4)78-57-73(58-84-77-31-14-18-35-88(77)99(10-5)94(78)84)72-50-70(67-38-43-90-80(54-67)75-29-12-16-33-86(75)96(90)7-2)49-71(51-72)68-39-44-91-81(55-68)76-30-13-17-34-87(76)97(91)8-3/h11-58H,6-10H2,1-5H3.
What are the key properties of 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole?
3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole has a molecular weight of 1272.65 g/mol, XLogP of 25.66, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 163418065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).