2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline

C111H77N5 — CID 126695211

IUPAC2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6ccc7c(c6)C(C)(C)c6c(-c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10cc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)cc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)c%10)n9)cc8)cccc6-7)nc5c4n3)cc21
InChIInChI=1S/C111H77N5/c1-110(2)96-46-27-26-43-88(96)89-53-51-79(60-97(89)110)105-68-94(73-35-18-8-19-36-73)92-55-56-93-95(74-37-20-9-21-38-74)69-106(116-109(93)108(92)115-105)80-52-54-90-91-45-28-44-87(107(91)111(3,4)98(90)61-80)75-47-49-78(50-48-75)101-64-83(72-33-16-7-17-34-72)67-104(114-101)86-58-84(102-65-81(70-29-12-5-13-30-70)62-99(112-102)76-39-22-10-23-40-76)57-85(59-86)103-66-82(71-31-14-6-15-32-71)63-100(113-103)77-41-24-11-25-42-77/h5-69H,1-4H3
InChIKeyKWQRNMDVMPCSPC-UHFFFAOYSA-N
MW1480.87 g/mol
LogP28.92
Rot. Bonds14

About 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline

2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline (PubChem CID 126695211) has the molecular formula C111H77N5 and a molecular weight of 1480.87 g/mol. Its IUPAC name is 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline
PubChem CID126695211
Molecular FormulaC111H77N5
Molecular Weight1480.87 g/mol
Exact Mass1479.62
IUPAC Name2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6ccc7c(c6)C(C)(C)c6c(-c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10cc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)cc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)c%10)n9)cc8)cccc6-7)nc5c4n3)cc21
InChIInChI=1S/C111H77N5/c1-110(2)96-46-27-26-43-88(96)89-53-51-79(60-97(89)110)105-68-94(73-35-18-8-19-36-73)92-55-56-93-95(74-37-20-9-21-38-74)69-106(116-109(93)108(92)115-105)80-52-54-90-91-45-28-44-87(107(91)111(3,4)98(90)61-80)75-47-49-78(50-48-75)101-64-83(72-33-16-7-17-34-72)67-104(114-101)86-58-84(102-65-81(70-29-12-5-13-30-70)62-99(112-102)76-39-22-10-23-40-76)57-85(59-86)103-66-82(71-31-14-6-15-32-71)63-100(113-103)77-41-24-11-25-42-77/h5-69H,1-4H3
InChIKeyKWQRNMDVMPCSPC-UHFFFAOYSA-N
XLogP28.92
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001480.87
LogP ≤ 528.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline with MolForge

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Related Compounds

4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 165384497
4-[4-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphthalen-1-yl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 168778081
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine
CID 138599907
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
CID 174327262
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536
2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578

Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline (CID 126695211) is 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6ccc7c(c6)C(C)(C)c6c(-c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10cc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)cc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)n%11)c%10)n9)cc8)cccc6-7)nc5c4n3)cc21.
What is the InChIKey of 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline?
The InChIKey is KWQRNMDVMPCSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H77N5/c1-110(2)96-46-27-26-43-88(96)89-53-51-79(60-97(89)110)105-68-94(73-35-18-8-19-36-73)92-55-56-93-95(74-37-20-9-21-38-74)69-106(116-109(93)108(92)115-105)80-52-54-90-91-45-28-44-87(107(91)111(3,4)98(90)61-80)75-47-49-78(50-48-75)101-64-83(72-33-16-7-17-34-72)67-104(114-101)86-58-84(102-65-81(70-29-12-5-13-30-70)62-99(112-102)76-39-22-10-23-40-76)57-85(59-86)103-66-82(71-31-14-6-15-32-71)63-100(113-103)77-41-24-11-25-42-77/h5-69H,1-4H3.
What are the key properties of 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline?
2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline has a molecular weight of 1480.87 g/mol, XLogP of 28.92, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 126695211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).