9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine

C50H33N — CID 142356041

IUPAC9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine
SMILESc1ccc(CC2c3ccc(-c4ccc5c(c4)-c4ccccc4C5c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3cccnc32)cc1
InChIInChI=1S/C50H33N/c1-2-11-31(12-3-1)27-48-41-23-20-32(29-47(41)44-19-10-26-51-50(44)48)33-21-25-43-46(28-33)39-17-8-9-18-42(39)49(43)34-22-24-40-37-15-5-4-13-35(37)36-14-6-7-16-38(36)45(40)30-34/h1-26,28-30,48-49H,27H2
InChIKeyCZSCZZZYZAWADH-UHFFFAOYSA-N
MW647.82 g/mol
LogP12.72
Rot. Bonds4

About 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine

9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine (PubChem CID 142356041) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine
PubChem CID142356041
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC Name9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine
SMILESc1ccc(CC2c3ccc(-c4ccc5c(c4)-c4ccccc4C5c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3cccnc32)cc1
InChIInChI=1S/C50H33N/c1-2-11-31(12-3-1)27-48-41-23-20-32(29-47(41)44-19-10-26-51-50(44)48)33-21-25-43-46(28-33)39-17-8-9-18-42(39)49(43)34-22-24-40-37-15-5-4-13-35(37)36-14-6-7-16-38(36)45(40)30-34/h1-26,28-30,48-49H,27H2
InChIKeyCZSCZZZYZAWADH-UHFFFAOYSA-N
XLogP12.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole
CID 170064519
2-[3-(9H-fluoren-9-yl)phenyl]triphenylene
CID 162204348
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
CID 164811988
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
3-[6-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]naphthalen-2-yl]dibenzofuran
CID 126753885
4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran
CID 142356030
9-naphthalen-1-yl-3-[4-[(4-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 123329963
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene
CID 58556083
1-[2-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]dibenzofuran
CID 126753743
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine?
The IUPAC name of 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine (CID 142356041) is 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine.
What is the SMILES notation for 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine?
The canonical SMILES for 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine is c1ccc(CC2c3ccc(-c4ccc5c(c4)-c4ccccc4C5c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3cccnc32)cc1.
What is the InChIKey of 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine?
The InChIKey is CZSCZZZYZAWADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-2-11-31(12-3-1)27-48-41-23-20-32(29-47(41)44-19-10-26-51-50(44)48)33-21-25-43-46(28-33)39-17-8-9-18-42(39)49(43)34-22-24-40-37-15-5-4-13-35(37)36-14-6-7-16-38(36)45(40)30-34/h1-26,28-30,48-49H,27H2.
What are the key properties of 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine?
9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine has a molecular weight of 647.82 g/mol, XLogP of 12.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine is sourced from PubChem (CID 142356041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).