N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine

C58H38N4S — CID 139380043

IUPACN-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine
SMILESc1ccc(N(c2cc3cc(c2)N(c2ccccc2)c2cccc4c2c2c(cccc2n4-c2ccc4ccccc4c2)N3c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C58H38N4S/c1-4-18-41(19-5-1)59(45-32-33-56-50(38-45)49-24-12-13-29-55(49)63-56)46-35-47-37-48(36-46)61(43-22-8-3-9-23-43)52-26-15-28-54-58(52)57-51(60(47)42-20-6-2-7-21-42)25-14-27-53(57)62(54)44-31-30-39-16-10-11-17-40(39)34-44/h1-38H
InChIKeyDSRXODQKCLTTBG-UHFFFAOYSA-N
MW823.04 g/mol
LogP17.03
Rot. Bonds6

About N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine

N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine (PubChem CID 139380043) has the molecular formula C58H38N4S and a molecular weight of 823.04 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine
PubChem CID139380043
Molecular FormulaC58H38N4S
Molecular Weight823.04 g/mol
Exact Mass822.28
IUPAC NameN-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine
SMILESc1ccc(N(c2cc3cc(c2)N(c2ccccc2)c2cccc4c2c2c(cccc2n4-c2ccc4ccccc4c2)N3c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C58H38N4S/c1-4-18-41(19-5-1)59(45-32-33-56-50(38-45)49-24-12-13-29-55(49)63-56)46-35-47-37-48(36-46)61(43-22-8-3-9-23-43)52-26-15-28-54-58(52)57-51(60(47)42-20-6-2-7-21-42)25-14-27-53(57)62(54)44-31-30-39-16-10-11-17-40(39)34-44/h1-38H
InChIKeyDSRXODQKCLTTBG-UHFFFAOYSA-N
XLogP17.03
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.04
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine with MolForge

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Related Compounds

3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578915
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
N-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-dibenzothiophen-3-yldibenzothiophen-3-amine
CID 126683194
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
2-N,8-N-diphenyl-2-N,8-N-bis(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)dibenzothiophene-2,8-diamine
CID 90249633
2-N-dibenzothiophen-1-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-2-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-3-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 159922399
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146577847
N-[4-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 160941057
N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
CID 167038184
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
CID 163874479
2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965730

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine?
The IUPAC name of N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine (CID 139380043) is N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine is c1ccc(N(c2cc3cc(c2)N(c2ccccc2)c2cccc4c2c2c(cccc2n4-c2ccc4ccccc4c2)N3c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine?
The InChIKey is DSRXODQKCLTTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4S/c1-4-18-41(19-5-1)59(45-32-33-56-50(38-45)49-24-12-13-29-55(49)63-56)46-35-47-37-48(36-46)61(43-22-8-3-9-23-43)52-26-15-28-54-58(52)57-51(60(47)42-20-6-2-7-21-42)25-14-27-53(57)62(54)44-31-30-39-16-10-11-17-40(39)34-44/h1-38H.
What are the key properties of N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine?
N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine has a molecular weight of 823.04 g/mol, XLogP of 17.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine is sourced from PubChem (CID 139380043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).