N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline

C54H36N2O2 — CID 118441907

IUPACN-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)Oc6ccccc6O8)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O2/c1-3-11-37(12-4-1)40-23-29-44(30-24-40)55(43-13-5-2-6-14-43)45-31-25-41(26-32-45)38-19-21-39(22-20-38)42-27-33-46(34-28-42)56-49-16-8-7-15-47(49)48-35-53-54(36-50(48)56)58-52-18-10-9-17-51(52)57-53/h1-36H
InChIKeyVTBCLNSCOROSJO-UHFFFAOYSA-N
MW744.89 g/mol
LogP15.15
Rot. Bonds7

About N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline

N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 118441907) has the molecular formula C54H36N2O2 and a molecular weight of 744.89 g/mol. Its IUPAC name is N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
PubChem CID118441907
Molecular FormulaC54H36N2O2
Molecular Weight744.89 g/mol
Exact Mass744.28
IUPAC NameN-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)Oc6ccccc6O8)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O2/c1-3-11-37(12-4-1)40-23-29-44(30-24-40)55(43-13-5-2-6-14-43)45-31-25-41(26-32-45)38-19-21-39(22-20-38)42-27-33-46(34-28-42)56-49-16-8-7-15-47(49)48-35-53-54(36-50(48)56)58-52-18-10-9-17-51(52)57-53/h1-36H
InChIKeyVTBCLNSCOROSJO-UHFFFAOYSA-N
XLogP15.15
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.89
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline with MolForge

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Related Compounds

N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
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-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline (CID 118441907) is N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)Oc6ccccc6O8)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is VTBCLNSCOROSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O2/c1-3-11-37(12-4-1)40-23-29-44(30-24-40)55(43-13-5-2-6-14-43)45-31-25-41(26-32-45)38-19-21-39(22-20-38)42-27-33-46(34-28-42)56-49-16-8-7-15-47(49)48-35-53-54(36-50(48)56)58-52-18-10-9-17-51(52)57-53/h1-36H.
What are the key properties of N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline?
N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 744.89 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 118441907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).