N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

C58H38N2O — CID 121357370

IUPACN-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5cccc-4c35)c2)cc1
InChIInChI=1S/C58H38N2O/c1-4-14-39(15-5-1)44-34-45(40-16-6-2-7-17-40)36-49(35-44)59(48-31-32-51-52-23-12-18-42-19-13-25-56(58(42)52)61-57(51)38-48)47-29-26-41(27-30-47)43-28-33-55-53(37-43)50-22-10-11-24-54(50)60(55)46-20-8-3-9-21-46/h1-38H
InChIKeyZADDOHYGQFWJFQ-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.18
Rot. Bonds7

About N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine (PubChem CID 121357370) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
PubChem CID121357370
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5cccc-4c35)c2)cc1
InChIInChI=1S/C58H38N2O/c1-4-14-39(15-5-1)44-34-45(40-16-6-2-7-17-40)36-49(35-44)59(48-31-32-51-52-23-12-18-42-19-13-25-56(58(42)52)61-57(51)38-48)47-29-26-41(27-30-47)43-28-33-55-53(37-43)50-22-10-11-24-54(50)60(55)46-20-8-3-9-21-46/h1-38H
InChIKeyZADDOHYGQFWJFQ-UHFFFAOYSA-N
XLogP16.18
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine with MolForge

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Related Compounds

N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 118532761
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 121357402
N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 134271613
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
N-dibenzofuran-2-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-9-phenylcarbazol-2-amine
CID 121357340

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine (CID 121357370) is N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5cccc-4c35)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The InChIKey is ZADDOHYGQFWJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-14-39(15-5-1)44-34-45(40-16-6-2-7-17-40)36-49(35-44)59(48-31-32-51-52-23-12-18-42-19-13-25-56(58(42)52)61-57(51)38-48)47-29-26-41(27-30-47)43-28-33-55-53(37-43)50-22-10-11-24-54(50)60(55)46-20-8-3-9-21-46/h1-38H.
What are the key properties of N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine has a molecular weight of 778.96 g/mol, XLogP of 16.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine is sourced from PubChem (CID 121357370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).