N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine

C66H47N5O — CID 166751324

IUPACN-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
SMILESCC1Cc2ccc(-c3nc(-c4ccccc4)nc(-n4c5c(c6cc(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc64)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2CC1C
InChIInChI=1S/C66H47N5O/c1-40-36-43-32-33-44(38-45(43)37-41(40)2)64-67-63(42-18-5-3-6-19-42)68-65(69-64)71-57-35-34-47(70(46-20-7-4-8-21-46)58-30-17-26-51-50-24-12-16-31-59(50)72-62(51)58)39-53(57)60-61(71)52-25-11-15-29-56(52)66(60)54-27-13-9-22-48(54)49-23-10-14-28-55(49)66/h3-35,38-41H,36-37H2,1-2H3
InChIKeyKDKGGSUYAYFYKB-UHFFFAOYSA-N
MW926.14 g/mol
LogP16.23
Rot. Bonds6

About N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine

N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine (PubChem CID 166751324) has the molecular formula C66H47N5O and a molecular weight of 926.14 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
PubChem CID166751324
Molecular FormulaC66H47N5O
Molecular Weight926.14 g/mol
Exact Mass925.38
IUPAC NameN-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
SMILESCC1Cc2ccc(-c3nc(-c4ccccc4)nc(-n4c5c(c6cc(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc64)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2CC1C
InChIInChI=1S/C66H47N5O/c1-40-36-43-32-33-44(38-45(43)37-41(40)2)64-67-63(42-18-5-3-6-19-42)68-65(69-64)71-57-35-34-47(70(46-20-7-4-8-21-46)58-30-17-26-51-50-24-12-16-31-59(50)72-62(51)58)39-53(57)60-61(71)52-25-11-15-29-56(52)66(60)54-27-13-9-22-48(54)49-23-10-14-28-55(49)66/h3-35,38-41H,36-37H2,1-2H3
InChIKeyKDKGGSUYAYFYKB-UHFFFAOYSA-N
XLogP16.23
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.14
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine with MolForge

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Related Compounds

N-dibenzofuran-4-yl-5'-(3,5-dipyridin-2-ylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
CID 154936555
N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine
CID 145128649
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170383733
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
N,N-bis(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096041
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
CID 167118056
N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 130379438
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 118699638
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147691444
2-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797844
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170096125

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The IUPAC name of N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine (CID 166751324) is N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The canonical SMILES for N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine is CC1Cc2ccc(-c3nc(-c4ccccc4)nc(-n4c5c(c6cc(N(c7ccccc7)c7cccc8c7oc7ccccc78)ccc64)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2CC1C.
What is the InChIKey of N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The InChIKey is KDKGGSUYAYFYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N5O/c1-40-36-43-32-33-44(38-45(43)37-41(40)2)64-67-63(42-18-5-3-6-19-42)68-65(69-64)71-57-35-34-47(70(46-20-7-4-8-21-46)58-30-17-26-51-50-24-12-16-31-59(50)72-62(51)58)39-53(57)60-61(71)52-25-11-15-29-56(52)66(60)54-27-13-9-22-48(54)49-23-10-14-28-55(49)66/h3-35,38-41H,36-37H2,1-2H3.
What are the key properties of N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine has a molecular weight of 926.14 g/mol, XLogP of 16.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-5'-[4-(6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine is sourced from PubChem (CID 166751324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).