8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline

C159H105N3 — CID 158679328

IUPAC8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline
SMILESc1ccc(C2(c3ccc(-c4ccc(-c5cccc6cccnc56)cc4)cc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1.c1ccc(C2(c3cccc(-c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1.c1ccc(C2(c3ccccc3-c3ccc(-c4cccc5cccnc45)cc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1
InChIInChI=1S/3C53H35N/c1-3-18-39(19-4-1)52(45-26-9-7-22-41(45)36-31-33-37(34-32-36)42-24-13-16-38-17-15-35-54-51(38)42)47-28-11-12-29-48(47)53(40-20-5-2-6-21-40)46-27-10-8-23-43(46)44-25-14-30-49(52)50(44)53;1-3-18-40(19-4-1)52(42-22-11-16-39(35-42)36-30-32-37(33-31-36)43-24-12-15-38-17-14-34-54-51(38)43)47-27-9-10-28-48(47)53(41-20-5-2-6-21-41)46-26-8-7-23-44(46)45-25-13-29-49(52)50(45)53;1-3-16-40(17-4-1)52(42-33-31-37(32-34-42)36-27-29-38(30-28-36)43-21-11-14-39-15-13-35-54-51(39)43)47-24-9-10-25-48(47)53(41-18-5-2-6-19-41)46-23-8-7-20-44(46)45-22-12-26-49(52)50(45)53/h3*1-35H
InChIKeyIEXORZKVSISXBK-UHFFFAOYSA-N
MW2057.61 g/mol
LogP37.88
Rot. Bonds15

About 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline

8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline (PubChem CID 158679328) has the molecular formula C159H105N3 and a molecular weight of 2057.61 g/mol. Its IUPAC name is 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline
PubChem CID158679328
Molecular FormulaC159H105N3
Molecular Weight2057.61 g/mol
Exact Mass2055.83
IUPAC Name8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline
SMILESc1ccc(C2(c3ccc(-c4ccc(-c5cccc6cccnc56)cc4)cc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1.c1ccc(C2(c3cccc(-c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1.c1ccc(C2(c3ccccc3-c3ccc(-c4cccc5cccnc45)cc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1
InChIInChI=1S/3C53H35N/c1-3-18-39(19-4-1)52(45-26-9-7-22-41(45)36-31-33-37(34-32-36)42-24-13-16-38-17-15-35-54-51(38)42)47-28-11-12-29-48(47)53(40-20-5-2-6-21-40)46-27-10-8-23-43(46)44-25-14-30-49(52)50(44)53;1-3-18-40(19-4-1)52(42-22-11-16-39(35-42)36-30-32-37(33-31-36)43-24-12-15-38-17-14-34-54-51(38)43)47-27-9-10-28-48(47)53(41-20-5-2-6-21-41)46-26-8-7-23-44(46)45-25-13-29-49(52)50(45)53;1-3-16-40(17-4-1)52(42-33-31-37(32-34-42)36-27-29-38(30-28-36)43-21-11-14-39-15-13-35-54-51(39)43)47-24-9-10-25-48(47)53(41-18-5-2-6-19-41)46-23-8-7-20-44(46)45-22-12-26-49(52)50(45)53/h3*1-35H
InChIKeyIEXORZKVSISXBK-UHFFFAOYSA-N
XLogP37.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002057.61
LogP ≤ 537.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline with MolForge

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Related Compounds

8-[4-[3-[(13S)-1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl]phenyl]phenyl]quinoline
CID 145303095
8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
CID 167177391
8-[3-[9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]thioxanthen-9-yl]phenyl]quinoline
CID 146547967
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2-[2-[9-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];2-[3-[9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[3-[9-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[4-[9-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene]
CID 158592384
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648983
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline?
The IUPAC name of 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline (CID 158679328) is 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline?
The canonical SMILES for 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline is c1ccc(C2(c3ccc(-c4ccc(-c5cccc6cccnc56)cc4)cc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1.c1ccc(C2(c3cccc(-c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1.c1ccc(C2(c3ccccc3-c3ccc(-c4cccc5cccnc45)cc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1.
What is the InChIKey of 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline?
The InChIKey is IEXORZKVSISXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C53H35N/c1-3-18-39(19-4-1)52(45-26-9-7-22-41(45)36-31-33-37(34-32-36)42-24-13-16-38-17-15-35-54-51(38)42)47-28-11-12-29-48(47)53(40-20-5-2-6-21-40)46-27-10-8-23-43(46)44-25-14-30-49(52)50(44)53;1-3-18-40(19-4-1)52(42-22-11-16-39(35-42)36-30-32-37(33-31-36)43-24-12-15-38-17-14-34-54-51(38)43)47-27-9-10-28-48(47)53(41-20-5-2-6-21-41)46-26-8-7-23-44(46)45-25-13-29-49(52)50(45)53;1-3-16-40(17-4-1)52(42-33-31-37(32-34-42)36-27-29-38(30-28-36)43-21-11-14-39-15-13-35-54-51(39)43)47-24-9-10-25-48(47)53(41-18-5-2-6-19-41)46-23-8-7-20-44(46)45-22-12-26-49(52)50(45)53/h3*1-35H.
What are the key properties of 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline?
8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline has a molecular weight of 2057.61 g/mol, XLogP of 37.88, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 158679328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).