10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine

C63H43N3O2 — CID 146321805

IUPAC10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccc(-c4ccc(C5Nc6ccccc6C(c6ccc(N7c8ccccc8Oc8ccccc87)cc6)N5)cc4)cc32)cc1
InChIInChI=1S/C63H43N3O2/c1-2-14-40(15-3-1)45-33-37-52-60(39-45)67-57-23-11-7-19-51(57)63(52)50-18-6-4-16-47(50)48-36-32-44(38-53(48)63)41-26-28-43(29-27-41)62-64-54-20-8-5-17-49(54)61(65-62)42-30-34-46(35-31-42)66-55-21-9-12-24-58(55)68-59-25-13-10-22-56(59)66/h1-39,61-62,64-65H
InChIKeyKGDPXFOFMWURCM-UHFFFAOYSA-N
MW874.06 g/mol
LogP15.87
Rot. Bonds5

About 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine

10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine (PubChem CID 146321805) has the molecular formula C63H43N3O2 and a molecular weight of 874.06 g/mol. Its IUPAC name is 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine
PubChem CID146321805
Molecular FormulaC63H43N3O2
Molecular Weight874.06 g/mol
Exact Mass873.34
IUPAC Name10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccc(-c4ccc(C5Nc6ccccc6C(c6ccc(N7c8ccccc8Oc8ccccc87)cc6)N5)cc4)cc32)cc1
InChIInChI=1S/C63H43N3O2/c1-2-14-40(15-3-1)45-33-37-52-60(39-45)67-57-23-11-7-19-51(57)63(52)50-18-6-4-16-47(50)48-36-32-44(38-53(48)63)41-26-28-43(29-27-41)62-64-54-20-8-5-17-49(54)61(65-62)42-30-34-46(35-31-42)66-55-21-9-12-24-58(55)68-59-25-13-10-22-56(59)66/h1-39,61-62,64-65H
InChIKeyKGDPXFOFMWURCM-UHFFFAOYSA-N
XLogP15.87
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.06
LogP ≤ 515.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
10-phenyl-18'-[3-[3-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]spiro[acridine-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene]
CID 134303840
5-phenyl-10-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylphenyl)phenazine
CID 129308793
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263795
2'-[3-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263707
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine
CID 146321789
CID 144851814
CID 144851814
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305

Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine (CID 146321805) is 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine is c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccc(-c4ccc(C5Nc6ccccc6C(c6ccc(N7c8ccccc8Oc8ccccc87)cc6)N5)cc4)cc32)cc1.
What is the InChIKey of 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine?
The InChIKey is KGDPXFOFMWURCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3O2/c1-2-14-40(15-3-1)45-33-37-52-60(39-45)67-57-23-11-7-19-51(57)63(52)50-18-6-4-16-47(50)48-36-32-44(38-53(48)63)41-26-28-43(29-27-41)62-64-54-20-8-5-17-49(54)61(65-62)42-30-34-46(35-31-42)66-55-21-9-12-24-58(55)68-59-25-13-10-22-56(59)66/h1-39,61-62,64-65H.
What are the key properties of 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine?
10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine has a molecular weight of 874.06 g/mol, XLogP of 15.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine is sourced from PubChem (CID 146321805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).