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

C88H55N2O3P — CID 146343003

IUPAC4-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
SMILESO=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1)c1cccc(-c2ccc3c(c2)Oc2cc(-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)ccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C88H55N2O3P/c91-94(64-26-5-2-6-27-64,65-46-41-56(42-47-65)60-43-48-77-82(53-60)92-81-40-18-16-38-76(81)87(77)72-34-12-7-29-67(72)68-30-8-13-35-73(68)87)66-28-20-24-59(52-66)62-45-50-79-84(55-62)93-83-54-61(44-49-78(83)88(79)74-36-14-9-31-69(74)70-32-10-15-37-75(70)88)58-23-19-25-63(51-58)86-89-80-39-17-11-33-71(80)85(90-86)57-21-3-1-4-22-57/h1-55H
InChIKeyGKJDVVUYAAJCTA-UHFFFAOYSA-N
MW1219.39 g/mol
LogP20.54
Rot. Bonds8

About 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

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 (PubChem CID 146343003) has the molecular formula C88H55N2O3P and a molecular weight of 1219.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID146343003
Molecular FormulaC88H55N2O3P
Molecular Weight1219.39 g/mol
Exact Mass1218.40
IUPAC Name4-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
SMILESO=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1)c1cccc(-c2ccc3c(c2)Oc2cc(-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)ccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C88H55N2O3P/c91-94(64-26-5-2-6-27-64,65-46-41-56(42-47-65)60-43-48-77-82(53-60)92-81-40-18-16-38-76(81)87(77)72-34-12-7-29-67(72)68-30-8-13-35-73(68)87)66-28-20-24-59(52-66)62-45-50-79-84(55-62)93-83-54-61(44-49-78(83)88(79)74-36-14-9-31-69(74)70-32-10-15-37-75(70)88)58-23-19-25-63(51-58)86-89-80-39-17-11-33-71(80)85(90-86)57-21-3-1-4-22-57/h1-55H
InChIKeyGKJDVVUYAAJCTA-UHFFFAOYSA-N
XLogP20.54
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.39
LogP ≤ 520.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

CID 146184411
CID 146184411
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
3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 130379369
16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
CID 165083756
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
3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388643
21-[4-(4-diphenylphosphorylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 164737333
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
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
2-(4-diphenylphosphorylphenyl)-4-spiro[fluorene-9,9'-xanthene]-3'-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126683

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1)c1cccc(-c2ccc3c(c2)Oc2cc(-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)ccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 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?
The InChIKey is GKJDVVUYAAJCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H55N2O3P/c91-94(64-26-5-2-6-27-64,65-46-41-56(42-47-65)60-43-48-77-82(53-60)92-81-40-18-16-38-76(81)87(77)72-34-12-7-29-67(72)68-30-8-13-35-73(68)87)66-28-20-24-59(52-66)62-45-50-79-84(55-62)93-83-54-61(44-49-78(83)88(79)74-36-14-9-31-69(74)70-32-10-15-37-75(70)88)58-23-19-25-63(51-58)86-89-80-39-17-11-33-71(80)85(90-86)57-21-3-1-4-22-57/h1-55H.
What are the key properties of 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?
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 has a molecular weight of 1219.39 g/mol, XLogP of 20.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146343003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).