N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine

C108H74N6O2 — CID 160882826

IUPACN,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)N(c3ccccc3)c3c(c5ccccc5n3-c3ccccc3)O4)cc2)cc1.c1ccc(N2c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)ccc3Oc3c2n(-c2ccccc2)c2ccccc32)cc1
InChIInChI=1S/C58H39N3O.C50H35N3O/c1-3-19-44(20-4-1)60-54-28-12-11-25-53(54)57-58(60)61(45-21-5-2-6-22-45)55-39-48(37-38-56(55)62-57)59(46-33-29-42(30-34-46)51-26-13-17-40-15-7-9-23-49(40)51)47-35-31-43(32-36-47)52-27-14-18-41-16-8-10-24-50(41)52;1-5-15-36(16-6-1)38-25-29-42(30-26-38)51(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-34-48-47(35-44)53(41-21-11-4-12-22-41)50-49(54-48)45-23-13-14-24-46(45)52(50)40-19-9-3-10-20-40/h1-39H;1-35H
InChIKeySNGHDDFYKVAQBP-UHFFFAOYSA-N
MW1487.82 g/mol
LogP30.33
Rot. Bonds14

About N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine

N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine (PubChem CID 160882826) has the molecular formula C108H74N6O2 and a molecular weight of 1487.82 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine
PubChem CID160882826
Molecular FormulaC108H74N6O2
Molecular Weight1487.82 g/mol
Exact Mass1486.59
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)N(c3ccccc3)c3c(c5ccccc5n3-c3ccccc3)O4)cc2)cc1.c1ccc(N2c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)ccc3Oc3c2n(-c2ccccc2)c2ccccc32)cc1
InChIInChI=1S/C58H39N3O.C50H35N3O/c1-3-19-44(20-4-1)60-54-28-12-11-25-53(54)57-58(60)61(45-21-5-2-6-22-45)55-39-48(37-38-56(55)62-57)59(46-33-29-42(30-34-46)51-26-13-17-40-15-7-9-23-49(40)51)47-35-31-43(32-36-47)52-27-14-18-41-16-8-10-24-50(41)52;1-5-15-36(16-6-1)38-25-29-42(30-26-38)51(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-34-48-47(35-44)53(41-21-11-4-12-22-41)50-49(54-48)45-23-13-14-24-46(45)52(50)40-19-9-3-10-20-40/h1-39H;1-35H
InChIKeySNGHDDFYKVAQBP-UHFFFAOYSA-N
XLogP30.33
TPSA41.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001487.82
LogP ≤ 530.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine with MolForge

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Related Compounds

N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 146360107
N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzoxazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-10-amine;N-(4-naphthalen-1-ylphenyl)-5,6-diphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b][1,4]benzoxazin-10-amine
CID 161033389
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
CID 165001412
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine (CID 160882826) is N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)N(c3ccccc3)c3c(c5ccccc5n3-c3ccccc3)O4)cc2)cc1.c1ccc(N2c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)ccc3Oc3c2n(-c2ccccc2)c2ccccc32)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine?
The InChIKey is SNGHDDFYKVAQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3O.C50H35N3O/c1-3-19-44(20-4-1)60-54-28-12-11-25-53(54)57-58(60)61(45-21-5-2-6-22-45)55-39-48(37-38-56(55)62-57)59(46-33-29-42(30-34-46)51-26-13-17-40-15-7-9-23-49(40)51)47-35-31-43(32-36-47)52-27-14-18-41-16-8-10-24-50(41)52;1-5-15-36(16-6-1)38-25-29-42(30-26-38)51(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-34-48-47(35-44)53(41-21-11-4-12-22-41)50-49(54-48)45-23-13-14-24-46(45)52(50)40-19-9-3-10-20-40/h1-39H;1-35H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine?
N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine has a molecular weight of 1487.82 g/mol, XLogP of 30.33, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine is sourced from PubChem (CID 160882826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).