2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline

C42H30N2 — CID 167176941

IUPAC2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc21
InChIInChI=1S/C42H30N2/c1-41(2)35-16-8-9-17-36(35)42(33-14-6-4-12-31(33)32-13-5-7-15-34(32)42)37-24-23-29(25-38(37)41)27-19-21-28(22-20-27)40-43-26-30-11-3-10-18-39(30)44-40/h3-26H,1-2H3
InChIKeyDRMJIQGUWSHJSZ-UHFFFAOYSA-N
MW562.72 g/mol
LogP9.97
Rot. Bonds2

About 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline

2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline (PubChem CID 167176941) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline.

Molecular Properties

Compound Name2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline
PubChem CID167176941
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc21
InChIInChI=1S/C42H30N2/c1-41(2)35-16-8-9-17-36(35)42(33-14-6-4-12-31(33)32-13-5-7-15-34(32)42)37-24-23-29(25-38(37)41)27-19-21-28(22-20-27)40-43-26-30-11-3-10-18-39(30)44-40/h3-26H,1-2H3
InChIKeyDRMJIQGUWSHJSZ-UHFFFAOYSA-N
XLogP9.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146495829
5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167177003
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)pyridine
CID 146495231
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
2-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166995942
2-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166996046
CID 139521138
CID 139521138
4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 146495038
4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 166995778
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 153302549

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline?
The IUPAC name of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline (CID 167176941) is 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline.
What is the SMILES notation for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline?
The canonical SMILES for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline?
The InChIKey is DRMJIQGUWSHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-41(2)35-16-8-9-17-36(35)42(33-14-6-4-12-31(33)32-13-5-7-15-34(32)42)37-24-23-29(25-38(37)41)27-19-21-28(22-20-27)40-43-26-30-11-3-10-18-39(30)44-40/h3-26H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline?
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline has a molecular weight of 562.72 g/mol, XLogP of 9.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]quinazoline is sourced from PubChem (CID 167176941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).