N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C62H42N4 — CID 90267289

IUPACN-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5cc6ccn(-c7ccccc7)c6cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C62H42N4/c1-5-15-43(16-6-1)45-25-29-50(30-26-45)64(51-31-27-46(28-32-51)44-17-7-2-8-18-44)52-33-35-53(36-34-52)66-60-39-47-37-38-63(48-19-9-3-10-20-48)59(47)40-56(60)57-42-61-55(41-62(57)66)54-23-13-14-24-58(54)65(61)49-21-11-4-12-22-49/h1-42H
InChIKeyAEFDDCBGYHYYIZ-UHFFFAOYSA-N
MW843.05 g/mol
LogP16.63
Rot. Bonds8

About N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90267289) has the molecular formula C62H42N4 and a molecular weight of 843.05 g/mol. Its IUPAC name is N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID90267289
Molecular FormulaC62H42N4
Molecular Weight843.05 g/mol
Exact Mass842.34
IUPAC NameN-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5cc6ccn(-c7ccccc7)c6cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C62H42N4/c1-5-15-43(16-6-1)45-25-29-50(30-26-45)64(51-31-27-46(28-32-51)44-17-7-2-8-18-44)52-33-35-53(36-34-52)66-60-39-47-37-38-63(48-19-9-3-10-20-48)59(47)40-56(60)57-42-61-55(41-62(57)66)54-23-13-14-24-58(54)65(61)49-21-11-4-12-22-49/h1-42H
InChIKeyAEFDDCBGYHYYIZ-UHFFFAOYSA-N
XLogP16.63
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.05
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline
CID 90061264
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
N,9-bis(4-tert-butylphenyl)-N-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]carbazol-3-amine
CID 118315251
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-[4-(10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaen-14-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267399
N,N-diphenyl-4-(7-phenyl-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaen-14-yl)aniline
CID 90223257
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90267289) is N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5cc6ccn(-c7ccccc7)c6cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is AEFDDCBGYHYYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4/c1-5-15-43(16-6-1)45-25-29-50(30-26-45)64(51-31-27-46(28-32-51)44-17-7-2-8-18-44)52-33-35-53(36-34-52)66-60-39-47-37-38-63(48-19-9-3-10-20-48)59(47)40-56(60)57-42-61-55(41-62(57)66)54-23-13-14-24-58(54)65(61)49-21-11-4-12-22-49/h1-42H.
What are the key properties of N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 843.05 g/mol, XLogP of 16.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90267289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).