N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine

C57H35N5O — CID 155485378

IUPACN-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccc5ccccc5c34)nc(-n3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C57H35N5O/c1-3-17-39(18-4-1)55-58-56(47-25-13-24-46-53-45-23-12-10-16-38(45)28-33-51(53)63-54(46)47)60-57(59-55)62-49-32-30-43(35-48(49)52-44-22-11-9-15-37(44)27-31-50(52)62)61(41-20-5-2-6-21-41)42-29-26-36-14-7-8-19-40(36)34-42/h1-35H
InChIKeyTYYINCIAYMPDKC-UHFFFAOYSA-N
MW805.94 g/mol
LogP15.13
Rot. Bonds6

About N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine

N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine (PubChem CID 155485378) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
PubChem CID155485378
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC NameN-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccc5ccccc5c34)nc(-n3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C57H35N5O/c1-3-17-39(18-4-1)55-58-56(47-25-13-24-46-53-45-23-12-10-16-38(45)28-33-51(53)63-54(46)47)60-57(59-55)62-49-32-30-43(35-48(49)52-44-22-11-9-15-37(44)27-31-50(52)62)61(41-20-5-2-6-21-41)42-29-26-36-14-7-8-19-40(36)34-42/h1-35H
InChIKeyTYYINCIAYMPDKC-UHFFFAOYSA-N
XLogP15.13
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 155485428
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-6-ylquinazolin-2-yl)-N-phenylbenzo[c]carbazol-10-amine
CID 155485546
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 164707593
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 160548557
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N,N-diphenylaniline
CID 171757236
N-naphthalen-2-yl-8-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795921
10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 155485454
9-[4-(9-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952374
7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
CID 155485233
12-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155382795

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine?
The IUPAC name of N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine (CID 155485378) is N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine.
What is the SMILES notation for N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine?
The canonical SMILES for N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine is c1ccc(-c2nc(-c3cccc4c3oc3ccc5ccccc5c34)nc(-n3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c4c5ccccc5ccc43)n2)cc1.
What is the InChIKey of N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine?
The InChIKey is TYYINCIAYMPDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-3-17-39(18-4-1)55-58-56(47-25-13-24-46-53-45-23-12-10-16-38(45)28-33-51(53)63-54(46)47)60-57(59-55)62-49-32-30-43(35-48(49)52-44-22-11-9-15-37(44)27-31-50(52)62)61(41-20-5-2-6-21-41)42-29-26-36-14-7-8-19-40(36)34-42/h1-35H.
What are the key properties of N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine?
N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine has a molecular weight of 805.94 g/mol, XLogP of 15.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 155485378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).