11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

C49H35N5 — CID 163563553

IUPAC11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(C2NC(c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)=NC(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C49H35N5/c1-3-14-33(15-4-1)47-50-48(52-49(51-47)36-24-23-32-13-7-8-16-35(32)29-36)34-25-27-38(28-26-34)54-44-22-12-10-20-40(44)42-30-45-41(31-46(42)54)39-19-9-11-21-43(39)53(45)37-17-5-2-6-18-37/h1-31,47,49,51H,(H,50,52)
InChIKeyFTHQQVUBCPKVDT-UHFFFAOYSA-N
MW693.85 g/mol
LogP11.37
Rot. Bonds5

About 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 163563553) has the molecular formula C49H35N5 and a molecular weight of 693.85 g/mol. Its IUPAC name is 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID163563553
Molecular FormulaC49H35N5
Molecular Weight693.85 g/mol
Exact Mass693.29
IUPAC Name11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(C2NC(c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)=NC(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C49H35N5/c1-3-14-33(15-4-1)47-50-48(52-49(51-47)36-24-23-32-13-7-8-16-35(32)29-36)34-25-27-38(28-26-34)54-44-22-12-10-20-40(44)42-30-45-41(31-46(42)54)39-19-9-11-21-43(39)53(45)37-17-5-2-6-18-37/h1-31,47,49,51H,(H,50,52)
InChIKeyFTHQQVUBCPKVDT-UHFFFAOYSA-N
XLogP11.37
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.85
LogP ≤ 511.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 145064186
4-(7-naphthalen-2-ylindolo[2,3-b]carbazol-5-yl)-3-[6-phenyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]aniline
CID 163927158
9-[16-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
CID 146664854
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
15-[4-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenyl-25-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
CID 137095897
23-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 155772863
11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 137067046
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (CID 163563553) is 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is c1ccc(C2NC(c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)=NC(c3ccc4ccccc4c3)N2)cc1.
What is the InChIKey of 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is FTHQQVUBCPKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N5/c1-3-14-33(15-4-1)47-50-48(52-49(51-47)36-24-23-32-13-7-8-16-35(32)29-36)34-25-27-38(28-26-34)54-44-22-12-10-20-40(44)42-30-45-41(31-46(42)54)39-19-9-11-21-43(39)53(45)37-17-5-2-6-18-37/h1-31,47,49,51H,(H,50,52).
What are the key properties of 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 693.85 g/mol, XLogP of 11.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 163563553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).