9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole

C66H43N3 — CID 58501050

IUPAC9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
SMILESCc1ccc2ccc(-c3ccc4c(c3)C3(c5ccccc5)c5ccccc5C4(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2n1
InChIInChI=1S/C66H43N3/c1-42-30-31-43-32-33-45(39-60(43)67-42)44-34-36-56-58(38-44)65(46-16-3-2-4-17-46)54-24-9-10-25-55(54)66(56,47-18-15-19-48(40-47)68-61-26-11-5-20-50(61)51-21-6-12-27-62(51)68)57-37-35-49(41-59(57)65)69-63-28-13-7-22-52(63)53-23-8-14-29-64(53)69/h2-41H,1H3
InChIKeyKQNUGBVFMMTALY-UHFFFAOYSA-N
MW878.09 g/mol
LogP15.80
Rot. Bonds5

About 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole

9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole (PubChem CID 58501050) has the molecular formula C66H43N3 and a molecular weight of 878.09 g/mol. Its IUPAC name is 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
PubChem CID58501050
Molecular FormulaC66H43N3
Molecular Weight878.09 g/mol
Exact Mass877.35
IUPAC Name9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
SMILESCc1ccc2ccc(-c3ccc4c(c3)C3(c5ccccc5)c5ccccc5C4(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2n1
InChIInChI=1S/C66H43N3/c1-42-30-31-43-32-33-45(39-60(43)67-42)44-34-36-56-58(38-44)65(46-16-3-2-4-17-46)54-24-9-10-25-55(54)66(56,47-18-15-19-48(40-47)68-61-26-11-5-20-50(61)51-21-6-12-27-62(51)68)57-37-35-49(41-59(57)65)69-63-28-13-7-22-52(63)53-23-8-14-29-64(53)69/h2-41H,1H3
InChIKeyKQNUGBVFMMTALY-UHFFFAOYSA-N
XLogP15.80
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.09
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole with MolForge

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Related Compounds

9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
CID 70669817
9-[4-[11-(4-carbazol-9-ylphenyl)-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
CID 58501039
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
CID 121385110
CID 121385110
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
8-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-2-methyl-5-phenylpyrido[3,2-b]indole
CID 90162833
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590665
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590548
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 160904647
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
9-[3-(5,11,18-trimethoxy-1,8-diphenyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl)phenyl]carbazole
CID 58501000

Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole (CID 58501050) is 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole is Cc1ccc2ccc(-c3ccc4c(c3)C3(c5ccccc5)c5ccccc5C4(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2n1.
What is the InChIKey of 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?
The InChIKey is KQNUGBVFMMTALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3/c1-42-30-31-43-32-33-45(39-60(43)67-42)44-34-36-56-58(38-44)65(46-16-3-2-4-17-46)54-24-9-10-25-55(54)66(56,47-18-15-19-48(40-47)68-61-26-11-5-20-50(61)51-21-6-12-27-62(51)68)57-37-35-49(41-59(57)65)69-63-28-13-7-22-52(63)53-23-8-14-29-64(53)69/h2-41H,1H3.
What are the key properties of 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole?
9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole has a molecular weight of 878.09 g/mol, XLogP of 15.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[5-carbazol-9-yl-11-(2-methylquinolin-7-yl)-8-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole is sourced from PubChem (CID 58501050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).