9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole

C54H40N4O — CID 130379575

IUPAC9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole
SMILESCC1C=C(C2N=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)N=C(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)N2C)C=CC1
InChIInChI=1S/C54H40N4O/c1-34-14-13-15-36(32-34)52-55-51(35-26-29-38(30-27-35)58-47-23-10-5-18-41(47)42-19-6-11-24-48(42)58)56-53(57(52)2)37-28-31-50-46(33-37)54(45-22-9-12-25-49(45)59-50)43-20-7-3-16-39(43)40-17-4-8-21-44(40)54/h3-13,15-34,52H,14H2,1-2H3
InChIKeyKIJVNLVGSRXMDT-UHFFFAOYSA-N
MW760.94 g/mol
LogP12.24
Rot. Bonds4

About 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole

9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole (PubChem CID 130379575) has the molecular formula C54H40N4O and a molecular weight of 760.94 g/mol. Its IUPAC name is 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole
PubChem CID130379575
Molecular FormulaC54H40N4O
Molecular Weight760.94 g/mol
Exact Mass760.32
IUPAC Name9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole
SMILESCC1C=C(C2N=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)N=C(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)N2C)C=CC1
InChIInChI=1S/C54H40N4O/c1-34-14-13-15-36(32-34)52-55-51(35-26-29-38(30-27-35)58-47-23-10-5-18-41(47)42-19-6-11-24-48(42)58)56-53(57(52)2)37-28-31-50-46(33-37)54(45-22-9-12-25-49(45)59-50)43-20-7-3-16-39(43)40-17-4-8-21-44(40)54/h3-13,15-34,52H,14H2,1-2H3
InChIKeyKIJVNLVGSRXMDT-UHFFFAOYSA-N
XLogP12.24
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole with MolForge

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Related Compounds

9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163832485
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
CID 170037998
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
CID 118145242
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole (CID 130379575) is 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole is CC1C=C(C2N=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)N=C(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)N2C)C=CC1.
What is the InChIKey of 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole?
The InChIKey is KIJVNLVGSRXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N4O/c1-34-14-13-15-36(32-34)52-55-51(35-26-29-38(30-27-35)58-47-23-10-5-18-41(47)42-19-6-11-24-48(42)58)56-53(57(52)2)37-28-31-50-46(33-37)54(45-22-9-12-25-49(45)59-50)43-20-7-3-16-39(43)40-17-4-8-21-44(40)54/h3-13,15-34,52H,14H2,1-2H3.
What are the key properties of 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole?
9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole has a molecular weight of 760.94 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2H-1,3,5-triazin-4-yl]phenyl]carbazole is sourced from PubChem (CID 130379575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).