3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine

C46H36N2 — CID 148908083

IUPAC3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine
SMILESCC1(C)c2cc(-c3cncc(-c4ccccc4)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cncc(-c4ccccc4)c2)cc1C3(C)C
InChIInChI=1S/C46H36N2/c1-45(2)41-21-31(35-19-33(25-47-27-35)29-11-7-5-8-12-29)15-17-37(41)39-24-44-40(23-43(39)45)38-18-16-32(22-42(38)46(44,3)4)36-20-34(26-48-28-36)30-13-9-6-10-14-30/h5-28H,1-4H3
InChIKeyPIBULMAFIMLRGC-UHFFFAOYSA-N
MW616.81 g/mol
LogP11.76
Rot. Bonds4

About 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine

3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine (PubChem CID 148908083) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine.

Molecular Properties

Compound Name3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine
PubChem CID148908083
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine
SMILESCC1(C)c2cc(-c3cncc(-c4ccccc4)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cncc(-c4ccccc4)c2)cc1C3(C)C
InChIInChI=1S/C46H36N2/c1-45(2)41-21-31(35-19-33(25-47-27-35)29-11-7-5-8-12-29)15-17-37(41)39-24-44-40(23-43(39)45)38-18-16-32(22-42(38)46(44,3)4)36-20-34(26-48-28-36)30-13-9-6-10-14-30/h5-28H,1-4H3
InChIKeyPIBULMAFIMLRGC-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine
CID 164785748
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 164989703
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163493770

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine?
The IUPAC name of 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine (CID 148908083) is 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine.
What is the SMILES notation for 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine?
The canonical SMILES for 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine is CC1(C)c2cc(-c3cncc(-c4ccccc4)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cncc(-c4ccccc4)c2)cc1C3(C)C.
What is the InChIKey of 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine?
The InChIKey is PIBULMAFIMLRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-45(2)41-21-31(35-19-33(25-47-27-35)29-11-7-5-8-12-29)15-17-37(41)39-24-44-40(23-43(39)45)38-18-16-32(22-42(38)46(44,3)4)36-20-34(26-48-28-36)30-13-9-6-10-14-30/h5-28H,1-4H3.
What are the key properties of 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine?
3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine has a molecular weight of 616.81 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[6,6,12,12-tetramethyl-2-(5-phenyl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine is sourced from PubChem (CID 148908083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).