2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine

C61H48N2 — CID 166902522

IUPAC2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)cc4)cc2)ccc1C31CCCCC1
InChIInChI=1S/C61H48N2/c1-60(2)52-24-14-13-23-48(52)50-39-55-51(38-54(50)60)49-37-47(33-34-53(49)61(55)35-15-6-16-36-61)42-27-25-40(26-28-42)41-29-31-46(32-30-41)59-58(45-21-11-5-12-22-45)62-56(43-17-7-3-8-18-43)57(63-59)44-19-9-4-10-20-44/h3-5,7-14,17-34,37-39H,6,15-16,35-36H2,1-2H3
InChIKeyIMVYJTHCHUEGGR-UHFFFAOYSA-N
MW809.07 g/mol
LogP16.02
Rot. Bonds6

About 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine

2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine (PubChem CID 166902522) has the molecular formula C61H48N2 and a molecular weight of 809.07 g/mol. Its IUPAC name is 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine.

Molecular Properties

Compound Name2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
PubChem CID166902522
Molecular FormulaC61H48N2
Molecular Weight809.07 g/mol
Exact Mass808.38
IUPAC Name2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)cc4)cc2)ccc1C31CCCCC1
InChIInChI=1S/C61H48N2/c1-60(2)52-24-14-13-23-48(52)50-39-55-51(38-54(50)60)49-37-47(33-34-53(49)61(55)35-15-6-16-36-61)42-27-25-40(26-28-42)41-29-31-46(32-30-41)59-58(45-21-11-5-12-22-45)62-56(43-17-7-3-8-18-43)57(63-59)44-19-9-4-10-20-44/h3-5,7-14,17-34,37-39H,6,15-16,35-36H2,1-2H3
InChIKeyIMVYJTHCHUEGGR-UHFFFAOYSA-N
XLogP16.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.07
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166903120
CID 166902546
CID 166902546
2-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-4'-yl)phenyl]-3,5,6-triphenylpyrazine
CID 166902209
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 166902931
2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-9-(4-phenylphenyl)carbazole
CID 154947405
4,6-diphenyl-2-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 146352227
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159202142
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195417
2-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 166902124
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine?
The IUPAC name of 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine (CID 166902522) is 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine.
What is the SMILES notation for 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine?
The canonical SMILES for 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)nc5-c5ccccc5)cc4)cc2)ccc1C31CCCCC1.
What is the InChIKey of 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine?
The InChIKey is IMVYJTHCHUEGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N2/c1-60(2)52-24-14-13-23-48(52)50-39-55-51(38-54(50)60)49-37-47(33-34-53(49)61(55)35-15-6-16-36-61)42-27-25-40(26-28-42)41-29-31-46(32-30-41)59-58(45-21-11-5-12-22-45)62-56(43-17-7-3-8-18-43)57(63-59)44-19-9-4-10-20-44/h3-5,7-14,17-34,37-39H,6,15-16,35-36H2,1-2H3.
What are the key properties of 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine?
2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine has a molecular weight of 809.07 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine is sourced from PubChem (CID 166902522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).