9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

C71H69N3O3 — CID 88862991

IUPAC9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESCOc1ccc(-n2c3ccc(Oc4ccc(-n5c6c(C)c(C)c(C)c(C)c6c6c(C)c(C)c(C)c(C)c65)cc4)cc3c3cc(Oc4ccc(-n5c6c(C)c(C)c(C)c(C)c6c6c(C)c(C)c(C)c(C)c65)cc4)ccc32)cc1
InChIInChI=1S/C71H69N3O3/c1-36-40(5)48(13)68-64(44(36)9)65-45(10)37(2)41(6)49(14)69(65)73(68)53-20-26-56(27-21-53)76-58-30-32-62-60(34-58)61-35-59(31-33-63(61)72(62)52-18-24-55(75-17)25-19-52)77-57-28-22-54(23-29-57)74-70-50(15)42(7)38(3)46(11)66(70)67-47(12)39(4)43(8)51(16)71(67)74/h18-35H,1-17H3
InChIKeyJBSXCPCBMJZYPD-UHFFFAOYSA-N
MW1012.35 g/mol
LogP19.51
Rot. Bonds8

About 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (PubChem CID 88862991) has the molecular formula C71H69N3O3 and a molecular weight of 1012.35 g/mol. Its IUPAC name is 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.

Molecular Properties

Compound Name9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
PubChem CID88862991
Molecular FormulaC71H69N3O3
Molecular Weight1012.35 g/mol
Exact Mass1011.53
IUPAC Name9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESCOc1ccc(-n2c3ccc(Oc4ccc(-n5c6c(C)c(C)c(C)c(C)c6c6c(C)c(C)c(C)c(C)c65)cc4)cc3c3cc(Oc4ccc(-n5c6c(C)c(C)c(C)c(C)c6c6c(C)c(C)c(C)c(C)c65)cc4)ccc32)cc1
InChIInChI=1S/C71H69N3O3/c1-36-40(5)48(13)68-64(44(36)9)65-45(10)37(2)41(6)49(14)69(65)73(68)53-20-26-56(27-21-53)76-58-30-32-62-60(34-58)61-35-59(31-33-63(61)72(62)52-18-24-55(75-17)25-19-52)77-57-28-22-54(23-29-57)74-70-50(15)42(7)38(3)46(11)66(70)67-47(12)39(4)43(8)51(16)71(67)74/h18-35H,1-17H3
InChIKeyJBSXCPCBMJZYPD-UHFFFAOYSA-N
XLogP19.51
TPSA42.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.35
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The IUPAC name of 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (CID 88862991) is 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.
What is the SMILES notation for 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The canonical SMILES for 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is COc1ccc(-n2c3ccc(Oc4ccc(-n5c6c(C)c(C)c(C)c(C)c6c6c(C)c(C)c(C)c(C)c65)cc4)cc3c3cc(Oc4ccc(-n5c6c(C)c(C)c(C)c(C)c6c6c(C)c(C)c(C)c(C)c65)cc4)ccc32)cc1.
What is the InChIKey of 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The InChIKey is JBSXCPCBMJZYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H69N3O3/c1-36-40(5)48(13)68-64(44(36)9)65-45(10)37(2)41(6)49(14)69(65)73(68)53-20-26-56(27-21-53)76-58-30-32-62-60(34-58)61-35-59(31-33-63(61)72(62)52-18-24-55(75-17)25-19-52)77-57-28-22-54(23-29-57)74-70-50(15)42(7)38(3)46(11)66(70)67-47(12)39(4)43(8)51(16)71(67)74/h18-35H,1-17H3.
What are the key properties of 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole has a molecular weight of 1012.35 g/mol, XLogP of 19.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9-(4-methoxyphenyl)-6-[4-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenoxy]carbazol-3-yl]oxyphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is sourced from PubChem (CID 88862991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).