9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole

C100H68N4 — CID 89341841

IUPAC9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc3cc(c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)C3)cc1
InChIInChI=1S/C100H68N4/c1-9-25-93-85(17-1)86-18-2-10-26-94(86)101(93)81-41-33-73(34-42-81)77-57-65-49-66(58-77)54-68-51-70(62-79(60-68)75-37-45-83(46-38-75)103-97-29-13-5-21-89(97)90-22-6-14-30-98(90)103)56-72-52-71(63-80(64-72)76-39-47-84(48-40-76)104-99-31-15-7-23-91(99)92-24-8-16-32-100(92)104)55-69-50-67(53-65)59-78(61-69)74-35-43-82(44-36-74)102-95-27-11-3-19-87(95)88-20-4-12-28-96(88)102/h1-52,57-64H,53-56H2
InChIKeyFAAGNERXJSAQLE-UHFFFAOYSA-N
MW1325.67 g/mol
LogP25.42
Rot. Bonds8

About 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole

9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole (PubChem CID 89341841) has the molecular formula C100H68N4 and a molecular weight of 1325.67 g/mol. Its IUPAC name is 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole
PubChem CID89341841
Molecular FormulaC100H68N4
Molecular Weight1325.67 g/mol
Exact Mass1324.54
IUPAC Name9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc3cc(c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)C3)cc1
InChIInChI=1S/C100H68N4/c1-9-25-93-85(17-1)86-18-2-10-26-94(86)101(93)81-41-33-73(34-42-81)77-57-65-49-66(58-77)54-68-51-70(62-79(60-68)75-37-45-83(46-38-75)103-97-29-13-5-21-89(97)90-22-6-14-30-98(90)103)56-72-52-71(63-80(64-72)76-39-47-84(48-40-76)104-99-31-15-7-23-91(99)92-24-8-16-32-100(92)104)55-69-50-67(53-65)59-78(61-69)74-35-43-82(44-36-74)102-95-27-11-3-19-87(95)88-20-4-12-28-96(88)102/h1-52,57-64H,53-56H2
InChIKeyFAAGNERXJSAQLE-UHFFFAOYSA-N
XLogP25.42
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.67
LogP ≤ 525.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole with MolForge

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Related Compounds

9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
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9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
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9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
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9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
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9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
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9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
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9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011

Frequently Asked Questions

What is the IUPAC name of 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole (CID 89341841) is 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc3cc(c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)Cc2cc(cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)C3)cc1.
What is the InChIKey of 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole?
The InChIKey is FAAGNERXJSAQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N4/c1-9-25-93-85(17-1)86-18-2-10-26-94(86)101(93)81-41-33-73(34-42-81)77-57-65-49-66(58-77)54-68-51-70(62-79(60-68)75-37-45-83(46-38-75)103-97-29-13-5-21-89(97)90-22-6-14-30-98(90)103)56-72-52-71(63-80(64-72)76-39-47-84(48-40-76)104-99-31-15-7-23-91(99)92-24-8-16-32-100(92)104)55-69-50-67(53-65)59-78(61-69)74-35-43-82(44-36-74)102-95-27-11-3-19-87(95)88-20-4-12-28-96(88)102/h1-52,57-64H,53-56H2.
What are the key properties of 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole?
9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole has a molecular weight of 1325.67 g/mol, XLogP of 25.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[11,17,23-tris(4-carbazol-9-ylphenyl)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenyl]carbazole is sourced from PubChem (CID 89341841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).