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

C54H36N2O — CID 134271613

IUPACN-[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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4Oc4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-13-37(14-4-1)38-23-28-42(29-24-38)55(44-32-34-52-50(36-44)46-17-7-10-20-51(46)56(52)41-15-5-2-6-16-41)43-30-25-39(26-31-43)40-27-33-45-47-18-8-11-21-53(47)57-54-22-12-9-19-48(54)49(45)35-40/h1-36H
InChIKeyDOXZEONEHKKCAE-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.03
Rot. Bonds6

About 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

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 (PubChem CID 134271613) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID134271613
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-[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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4Oc4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-13-37(14-4-1)38-23-28-42(29-24-38)55(44-32-34-52-50(36-44)46-17-7-10-20-51(46)56(52)41-15-5-2-6-16-41)43-30-25-39(26-31-43)40-27-33-45-47-18-8-11-21-53(47)57-54-22-12-9-19-48(54)49(45)35-40/h1-36H
InChIKeyDOXZEONEHKKCAE-UHFFFAOYSA-N
XLogP15.03
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N,N-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-9-phenylcarbazol-3-amine
CID 134271622
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-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
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
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
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
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4Oc4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DOXZEONEHKKCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-3-13-37(14-4-1)38-23-28-42(29-24-38)55(44-32-34-52-50(36-44)46-17-7-10-20-51(46)56(52)41-15-5-2-6-16-41)43-30-25-39(26-31-43)40-27-33-45-47-18-8-11-21-53(47)57-54-22-12-9-19-48(54)49(45)35-40/h1-36H.
What are the key properties of 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?
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 has a molecular weight of 728.90 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134271613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).