5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine

C88H52N2 — CID 137493107

IUPAC5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3cc(-c4ccc(-c5ccc(-c6cccc7c8c(ccc67)C6(c7ccccc7-c7ccccc76)c6cc7cc(-c9ccc(-c%10ccncc%10)cc9)ccc7cc6-8)cn5)cc4)ccc3cc2-c2c1ccc1ccccc21
InChIInChI=1S/C88H52N2/c1-2-13-67-57(12-1)36-39-80-85(67)74-48-61-34-33-60(47-64(61)50-82(74)87(80)76-20-7-3-14-69(76)70-15-4-8-21-77(70)87)55-28-30-58(31-29-55)84-41-37-63(52-90-84)66-18-11-19-73-68(66)38-40-81-86(73)75-49-62-35-32-59(54-26-24-53(25-27-54)56-42-44-89-45-43-56)46-65(62)51-83(75)88(81)78-22-9-5-16-71(78)72-17-6-10-23-79(72)88/h1-52H
InChIKeyIUYPUCFUTJDQAJ-UHFFFAOYSA-N
MW1137.40 g/mol
LogP22.11
Rot. Bonds5

About 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine

5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine (PubChem CID 137493107) has the molecular formula C88H52N2 and a molecular weight of 1137.40 g/mol. Its IUPAC name is 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine.

Molecular Properties

Compound Name5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine
PubChem CID137493107
Molecular FormulaC88H52N2
Molecular Weight1137.40 g/mol
Exact Mass1136.41
IUPAC Name5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3cc(-c4ccc(-c5ccc(-c6cccc7c8c(ccc67)C6(c7ccccc7-c7ccccc76)c6cc7cc(-c9ccc(-c%10ccncc%10)cc9)ccc7cc6-8)cn5)cc4)ccc3cc2-c2c1ccc1ccccc21
InChIInChI=1S/C88H52N2/c1-2-13-67-57(12-1)36-39-80-85(67)74-48-61-34-33-60(47-64(61)50-82(74)87(80)76-20-7-3-14-69(76)70-15-4-8-21-77(70)87)55-28-30-58(31-29-55)84-41-37-63(52-90-84)66-18-11-19-73-68(66)38-40-81-86(73)75-49-62-35-32-59(54-26-24-53(25-27-54)56-42-44-89-45-43-56)46-65(62)51-83(75)88(81)78-22-9-5-16-71(78)72-17-6-10-23-79(72)88/h1-52H
InChIKeyIUYPUCFUTJDQAJ-UHFFFAOYSA-N
XLogP22.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.40
LogP ≤ 522.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine with MolForge

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Related Compounds

2-pyridin-2-yl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylpyridine
CID 140962622
17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961837
4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine
CID 137492910
17'-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 161366156
17'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 161463625
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962634
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962359
5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine
CID 90361785
5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 161017565
2-[4-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
CID 159087399
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 137492764
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701

Frequently Asked Questions

What is the IUPAC name of 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine?
The IUPAC name of 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine (CID 137493107) is 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine.
What is the SMILES notation for 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine?
The canonical SMILES for 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine is c1ccc2c(c1)-c1ccccc1C21c2cc3cc(-c4ccc(-c5ccc(-c6cccc7c8c(ccc67)C6(c7ccccc7-c7ccccc76)c6cc7cc(-c9ccc(-c%10ccncc%10)cc9)ccc7cc6-8)cn5)cc4)ccc3cc2-c2c1ccc1ccccc21.
What is the InChIKey of 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine?
The InChIKey is IUYPUCFUTJDQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N2/c1-2-13-67-57(12-1)36-39-80-85(67)74-48-61-34-33-60(47-64(61)50-82(74)87(80)76-20-7-3-14-69(76)70-15-4-8-21-77(70)87)55-28-30-58(31-29-55)84-41-37-63(52-90-84)66-18-11-19-73-68(66)38-40-81-86(73)75-49-62-35-32-59(54-26-24-53(25-27-54)56-42-44-89-45-43-56)46-65(62)51-83(75)88(81)78-22-9-5-16-71(78)72-17-6-10-23-79(72)88/h1-52H.
What are the key properties of 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine?
5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine has a molecular weight of 1137.40 g/mol, XLogP of 22.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine is sourced from PubChem (CID 137493107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).