CID 146536637

C60H41N3 — CID 146536637

IUPAC—
SMILESCC1C=CC2=C(C1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C60H41N3/c1-38-31-36-52-54(37-38)59(48-26-12-8-21-44(48)45-22-9-13-27-49(45)59)53-30-16-25-43(55(53)60(52)50-28-14-10-23-46(50)47-24-11-15-29-51(47)60)39-32-34-42(35-33-39)58-62-56(40-17-4-2-5-18-40)61-57(63-58)41-19-6-3-7-20-41/h2-36,38H,37H2,1H3
InChIKeyGPPJTVDJQADFRO-UHFFFAOYSA-N
MW804.01 g/mol
LogP14.08
Rot. Bonds4

About CID 146536637

CID 146536637 (PubChem CID 146536637) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol.

Molecular Properties

Compound NameCID 146536637
PubChem CID146536637
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name—
SMILESCC1C=CC2=C(C1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C60H41N3/c1-38-31-36-52-54(37-38)59(48-26-12-8-21-44(48)45-22-9-13-27-49(45)59)53-30-16-25-43(55(53)60(52)50-28-14-10-23-46(50)47-24-11-15-29-51(47)60)39-32-34-42(35-33-39)58-62-56(40-17-4-2-5-18-40)61-57(63-58)41-19-6-3-7-20-41/h2-36,38H,37H2,1H3
InChIKeyGPPJTVDJQADFRO-UHFFFAOYSA-N
XLogP14.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine
CID 163543309
6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 146332510
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 146648923
2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367748
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416348
2-phenyl-4-(2-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 167177813
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317

Frequently Asked Questions

What is the IUPAC name of CID 146536637?
The IUPAC name of CID 146536637 (CID 146536637) is not available.
What is the SMILES notation for CID 146536637?
The canonical SMILES for CID 146536637 is CC1C=CC2=C(C1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c1C21c2ccccc2-c2ccccc21.
What is the InChIKey of CID 146536637?
The InChIKey is GPPJTVDJQADFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-38-31-36-52-54(37-38)59(48-26-12-8-21-44(48)45-22-9-13-27-49(45)59)53-30-16-25-43(55(53)60(52)50-28-14-10-23-46(50)47-24-11-15-29-51(47)60)39-32-34-42(35-33-39)58-62-56(40-17-4-2-5-18-40)61-57(63-58)41-19-6-3-7-20-41/h2-36,38H,37H2,1H3.
What are the key properties of CID 146536637?
CID 146536637 has a molecular weight of 804.01 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146536637 is sourced from PubChem (CID 146536637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).