5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine

C64H42N5P — CID 142355868

IUPAC5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine
SMILESC1=CC2C(C=C1c1nc(-c3ccccc3)nc(N3c4ccccc4P(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n1)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C64H42N5P/c1-4-20-41(21-5-1)61-65-62(42-36-38-54-50(40-42)47-28-12-16-32-53(47)64(54)51-30-14-10-26-45(51)46-27-11-15-31-52(46)64)67-63(66-61)69-56-34-18-19-35-57(56)70(44-24-8-3-9-25-44)58-39-37-49-48-29-13-17-33-55(48)68(59(49)60(58)69)43-22-6-2-7-23-43/h1-40,50,54H
InChIKeyZJTHMLMTPUHAKM-UHFFFAOYSA-N
MW912.05 g/mol
LogP13.86
Rot. Bonds5

About 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine

5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine (PubChem CID 142355868) has the molecular formula C64H42N5P and a molecular weight of 912.05 g/mol. Its IUPAC name is 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine.

Molecular Properties

Compound Name5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine
PubChem CID142355868
Molecular FormulaC64H42N5P
Molecular Weight912.05 g/mol
Exact Mass911.32
IUPAC Name5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine
SMILESC1=CC2C(C=C1c1nc(-c3ccccc3)nc(N3c4ccccc4P(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n1)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C64H42N5P/c1-4-20-41(21-5-1)61-65-62(42-36-38-54-50(40-42)47-28-12-16-32-53(47)64(54)51-30-14-10-26-45(51)46-27-11-15-31-52(46)64)67-63(66-61)69-56-34-18-19-35-57(56)70(44-24-8-3-9-25-44)58-39-37-49-48-29-13-17-33-55(48)68(59(49)60(58)69)43-22-6-2-7-23-43/h1-40,50,54H
InChIKeyZJTHMLMTPUHAKM-UHFFFAOYSA-N
XLogP13.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.05
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine with MolForge

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Related Compounds

11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 139479529
2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]
CID 146519512
10-[4-(3,5-diphenylphenyl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohexa-2,4-dien-1-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 167401454
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
11'-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,4-triphenyl-6-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)phenyl]phenyl]-3,4,5-triphenylphenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 147429152
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
CID 170268470
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
CID 87486905
12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 162363133

Frequently Asked Questions

What is the IUPAC name of 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine?
The IUPAC name of 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine (CID 142355868) is 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine.
What is the SMILES notation for 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine?
The canonical SMILES for 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine is C1=CC2C(C=C1c1nc(-c3ccccc3)nc(N3c4ccccc4P(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n1)c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine?
The InChIKey is ZJTHMLMTPUHAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N5P/c1-4-20-41(21-5-1)61-65-62(42-36-38-54-50(40-42)47-28-12-16-32-53(47)64(54)51-30-14-10-26-45(51)46-27-11-15-31-52(46)64)67-63(66-61)69-56-34-18-19-35-57(56)70(44-24-8-3-9-25-44)58-39-37-49-48-29-13-17-33-55(48)68(59(49)60(58)69)43-22-6-2-7-23-43/h1-40,50,54H.
What are the key properties of 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine?
5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine has a molecular weight of 912.05 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine is sourced from PubChem (CID 142355868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).