12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]

C58H36N4O — CID 156559750

IUPAC12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4c(ccc6c7ccccc7n(-c7ccccc7)c46)C54c5ccccc5Oc5ccccc54)n3)cc2)cc1
InChIInChI=1S/C58H36N4O/c1-4-16-37(17-5-1)38-28-30-40(31-29-38)56-59-55(39-18-6-2-7-19-39)60-57(61-56)41-32-34-46-45(36-41)53-49(58(46)47-23-11-14-26-51(47)63-52-27-15-12-24-48(52)58)35-33-44-43-22-10-13-25-50(43)62(54(44)53)42-20-8-3-9-21-42/h1-36H
InChIKeyBQYYNCALSYYQKF-UHFFFAOYSA-N
MW804.95 g/mol
LogP14.11
Rot. Bonds5

About 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]

12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] (PubChem CID 156559750) has the molecular formula C58H36N4O and a molecular weight of 804.95 g/mol. Its IUPAC name is 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
PubChem CID156559750
Molecular FormulaC58H36N4O
Molecular Weight804.95 g/mol
Exact Mass804.29
IUPAC Name12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4c(ccc6c7ccccc7n(-c7ccccc7)c46)C54c5ccccc5Oc5ccccc54)n3)cc2)cc1
InChIInChI=1S/C58H36N4O/c1-4-16-37(17-5-1)38-28-30-40(31-29-38)56-59-55(39-18-6-2-7-19-39)60-57(61-56)41-32-34-46-45(36-41)53-49(58(46)47-23-11-14-26-51(47)63-52-27-15-12-24-48(52)58)35-33-44-43-22-10-13-25-50(43)62(54(44)53)42-20-8-3-9-21-42/h1-36H
InChIKeyBQYYNCALSYYQKF-UHFFFAOYSA-N
XLogP14.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 163986204
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
CID 156559691
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
methane;9-phenyl-1-[4-phenyl-6-[7-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[6-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-3-[4-phenyl-6-[6-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-[7-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]carbazole
CID 159442688
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 154624198
12'-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613483

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The IUPAC name of 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] (CID 156559750) is 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene].
What is the SMILES notation for 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The canonical SMILES for 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4c(ccc6c7ccccc7n(-c7ccccc7)c46)C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.
What is the InChIKey of 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The InChIKey is BQYYNCALSYYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O/c1-4-16-37(17-5-1)38-28-30-40(31-29-38)56-59-55(39-18-6-2-7-19-39)60-57(61-56)41-32-34-46-45(36-41)53-49(58(46)47-23-11-14-26-51(47)63-52-27-15-12-24-48(52)58)35-33-44-43-22-10-13-25-50(43)62(54(44)53)42-20-8-3-9-21-42/h1-36H.
What are the key properties of 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] has a molecular weight of 804.95 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene] is sourced from PubChem (CID 156559750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).