9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C61H42N4 — CID 146494679

IUPAC9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)c21
InChIInChI=1S/C61H42N4/c1-60(2)51-30-14-15-31-52(51)61(49-28-12-8-22-43(49)44-23-9-13-29-50(44)61)53-32-18-27-47(56(53)60)42-21-6-7-26-48(42)59-63-57(39-19-4-3-5-20-39)62-58(64-59)40-35-37-41(38-36-40)65-54-33-16-10-24-45(54)46-25-11-17-34-55(46)65/h3-38H,1-2H3
InChIKeyLDYMDPPCIQWEQC-UHFFFAOYSA-N
MW831.03 g/mol
LogP14.64
Rot. Bonds5

About 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 146494679) has the molecular formula C61H42N4 and a molecular weight of 831.03 g/mol. Its IUPAC name is 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID146494679
Molecular FormulaC61H42N4
Molecular Weight831.03 g/mol
Exact Mass830.34
IUPAC Name9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)c21
InChIInChI=1S/C61H42N4/c1-60(2)51-30-14-15-31-52(51)61(49-28-12-8-22-43(49)44-23-9-13-29-50(44)61)53-32-18-27-47(56(53)60)42-21-6-7-26-48(42)59-63-57(39-19-4-3-5-20-39)62-58(64-59)40-35-37-41(38-36-40)65-54-33-16-10-24-45(54)46-25-11-17-34-55(46)65/h3-38H,1-2H3
InChIKeyLDYMDPPCIQWEQC-UHFFFAOYSA-N
XLogP14.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.03
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 90059498
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 166995680
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 153028901
11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 156559628
9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142504785
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 168836616
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 146494679) is 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)c21.
What is the InChIKey of 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is LDYMDPPCIQWEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4/c1-60(2)51-30-14-15-31-52(51)61(49-28-12-8-22-43(49)44-23-9-13-29-50(44)61)53-32-18-27-47(56(53)60)42-21-6-7-26-48(42)59-63-57(39-19-4-3-5-20-39)62-58(64-59)40-35-37-41(38-36-40)65-54-33-16-10-24-45(54)46-25-11-17-34-55(46)65/h3-38H,1-2H3.
What are the key properties of 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 831.03 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 146494679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).