9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole

C50H53NO4 — CID 122366143

IUPAC9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole
SMILESCCCCCCCCCCn1c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)cc2c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)cc21
InChIInChI=1S/C50H53NO4/c1-6-7-8-9-10-11-12-13-30-51-49-33-45(37-18-26-41(54-4)27-19-37)43(35-14-22-39(52-2)23-15-35)31-47(49)48-32-44(36-16-24-40(53-3)25-17-36)46(34-50(48)51)38-20-28-42(55-5)29-21-38/h14-29,31-34H,6-13,30H2,1-5H3
InChIKeyBEFABBGOKIZUKY-UHFFFAOYSA-N
MW731.98 g/mol
LogP13.64
Rot. Bonds17

About 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole

9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole (PubChem CID 122366143) has the molecular formula C50H53NO4 and a molecular weight of 731.98 g/mol. Its IUPAC name is 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole.

Molecular Properties

Compound Name9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole
PubChem CID122366143
Molecular FormulaC50H53NO4
Molecular Weight731.98 g/mol
Exact Mass731.40
IUPAC Name9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole
SMILESCCCCCCCCCCn1c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)cc2c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)cc21
InChIInChI=1S/C50H53NO4/c1-6-7-8-9-10-11-12-13-30-51-49-33-45(37-18-26-41(54-4)27-19-37)43(35-14-22-39(52-2)23-15-35)31-47(49)48-32-44(36-16-24-40(53-3)25-17-36)46(34-50(48)51)38-20-28-42(55-5)29-21-38/h14-29,31-34H,6-13,30H2,1-5H3
InChIKeyBEFABBGOKIZUKY-UHFFFAOYSA-N
XLogP13.64
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.98
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9,18,27-tridodecyl-5,6,14,15,23,24-hexakis(4-nonylphenyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 102198459
N,N-bis(4-methoxyphenyl)-4-[9,18,27-trihexyl-14,23-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaen-5-yl]aniline
CID 131970444
5,12-dibutyl-2,9-bis(6-methoxynaphthalen-2-yl)quinolino[2,3-b]acridine-7,14-dione
CID 138622675
5-(4-methoxyphenyl)-1-octylimidazol-2-amine
CID 50941070
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
4-butoxy-1-hexyl-3,7-dimethoxyquinolin-2-one
CID 139717994
7-methoxy-9-pentylcarbazole-3-carboxylic acid
CID 66739603
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
2,7-bis[5-(4-octoxyphenyl)thiophen-2-yl]-9-octylcarbazole
CID 102055404
[4-[2-[9-butyl-7-[2-(4-methoxyphenyl)ethynyl]carbazol-2-yl]ethynyl]phenyl]methanol
CID 121298137
9-butyl-3-methoxycarbazole
CID 132503458
5,25-didodecyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-one
CID 67958902

Frequently Asked Questions

What is the IUPAC name of 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole?
The IUPAC name of 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole (CID 122366143) is 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole.
What is the SMILES notation for 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole?
The canonical SMILES for 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole is CCCCCCCCCCn1c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)cc2c2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)cc21.
What is the InChIKey of 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole?
The InChIKey is BEFABBGOKIZUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H53NO4/c1-6-7-8-9-10-11-12-13-30-51-49-33-45(37-18-26-41(54-4)27-19-37)43(35-14-22-39(52-2)23-15-35)31-47(49)48-32-44(36-16-24-40(53-3)25-17-36)46(34-50(48)51)38-20-28-42(55-5)29-21-38/h14-29,31-34H,6-13,30H2,1-5H3.
What are the key properties of 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole?
9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole has a molecular weight of 731.98 g/mol, XLogP of 13.64, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole is sourced from PubChem (CID 122366143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).