9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C64H40N4O2 — CID 138573410

IUPAC9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-c4cccc5c4Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)n2)cc1
InChIInChI=1S/C64H40N4O2/c1-4-18-41(19-5-1)61-65-62(42-34-36-47(37-35-42)68-55-31-14-11-27-50(55)51-28-12-15-32-56(51)68)67-63(66-61)44-21-16-20-43(38-44)48-29-17-33-57-60(48)70-58-39-52-49-26-10-13-30-53(49)64(45-22-6-2-7-23-45,46-24-8-3-9-25-46)54(52)40-59(58)69-57/h1-40H
InChIKeyAEQDGVFDGPHGSN-UHFFFAOYSA-N
MW897.05 g/mol
LogP15.90
Rot. Bonds7

About 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 138573410) has the molecular formula C64H40N4O2 and a molecular weight of 897.05 g/mol. Its IUPAC name is 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID138573410
Molecular FormulaC64H40N4O2
Molecular Weight897.05 g/mol
Exact Mass896.32
IUPAC Name9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-c4cccc5c4Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)n2)cc1
InChIInChI=1S/C64H40N4O2/c1-4-18-41(19-5-1)61-65-62(42-34-36-47(37-35-42)68-55-31-14-11-27-50(55)51-28-12-15-32-56(51)68)67-63(66-61)44-21-16-20-43(38-44)48-29-17-33-57-60(48)70-58-39-52-49-26-10-13-30-53(49)64(45-22-6-2-7-23-45,46-24-8-3-9-25-46)54(52)40-59(58)69-57/h1-40H
InChIKeyAEQDGVFDGPHGSN-UHFFFAOYSA-N
XLogP15.90
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.05
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138573675
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 163599586
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138573376
2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138573346
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803
2-[4-(3,5-diphenylphenyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;4'-[3-(3-diphenylphosphorylphenyl)phenyl]spiro[fluorene-9,9'-xanthene];9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159470462
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)-4-(4-phenylphenyl)quinazoline
CID 138573837
2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288851

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 138573410) is 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-c4cccc5c4Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)n2)cc1.
What is the InChIKey of 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is AEQDGVFDGPHGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O2/c1-4-18-41(19-5-1)61-65-62(42-34-36-47(37-35-42)68-55-31-14-11-27-50(55)51-28-12-15-32-56(51)68)67-63(66-61)44-21-16-20-43(38-44)48-29-17-33-57-60(48)70-58-39-52-49-26-10-13-30-53(49)64(45-22-6-2-7-23-45,46-24-8-3-9-25-46)54(52)40-59(58)69-57/h1-40H.
What are the key properties of 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 897.05 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 138573410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).