CID 146184411

C58H36N2O — CID 146184411

IUPAC—
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C58H36N2O/c1-2-16-38(17-3-1)55-43-20-6-14-28-52(43)59-56(60-55)39-32-30-37(31-33-39)40-34-35-51-54(36-40)61-53-29-15-13-27-50(53)58(51)48-25-11-9-23-46(48)57(47-24-10-12-26-49(47)58)44-21-7-4-18-41(44)42-19-5-8-22-45(42)57/h1-36H
InChIKeyQIFPKTKKFPYHNS-UHFFFAOYSA-N
MW776.94 g/mol
LogP13.80
Rot. Bonds3

About CID 146184411

CID 146184411 (PubChem CID 146184411) has the molecular formula C58H36N2O and a molecular weight of 776.94 g/mol.

Molecular Properties

Compound NameCID 146184411
PubChem CID146184411
Molecular FormulaC58H36N2O
Molecular Weight776.94 g/mol
Exact Mass776.28
IUPAC Name—
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C58H36N2O/c1-2-16-38(17-3-1)55-43-20-6-14-28-52(43)59-56(60-55)39-32-30-37(31-33-39)40-34-35-51-54(36-40)61-53-29-15-13-27-50(53)58(51)48-25-11-9-23-46(48)57(47-24-10-12-26-49(47)58)44-21-7-4-18-41(44)42-19-5-8-22-45(42)57/h1-36H
InChIKeyQIFPKTKKFPYHNS-UHFFFAOYSA-N
XLogP13.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
7-[6'-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline
CID 155304735
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4-phenyl-2-[3-[6'-[3-[phenyl-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phosphoryl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]quinazoline
CID 146343003
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene];6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 163631721
6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694337
4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306839
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 146613600
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306525

Frequently Asked Questions

What is the IUPAC name of CID 146184411?
The IUPAC name of CID 146184411 (CID 146184411) is not available.
What is the SMILES notation for CID 146184411?
The canonical SMILES for CID 146184411 is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)nc3ccccc23)cc1.
What is the InChIKey of CID 146184411?
The InChIKey is QIFPKTKKFPYHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O/c1-2-16-38(17-3-1)55-43-20-6-14-28-52(43)59-56(60-55)39-32-30-37(31-33-39)40-34-35-51-54(36-40)61-53-29-15-13-27-50(53)58(51)48-25-11-9-23-46(48)57(47-24-10-12-26-49(47)58)44-21-7-4-18-41(44)42-19-5-8-22-45(42)57/h1-36H.
What are the key properties of CID 146184411?
CID 146184411 has a molecular weight of 776.94 g/mol, XLogP of 13.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184411 is sourced from PubChem (CID 146184411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).