2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline

C90H58N4S — CID 145313051

IUPAC2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline
SMILESc1cc(Nc2ccccc2-c2cccc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)c2)cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc2)c1
InChIInChI=1S/C90H58N4S/c1-2-18-64-55-67(32-31-58(64)15-1)61-35-43-71(44-36-61)92(72-47-49-74(50-48-72)93-82-29-11-8-27-80(82)89-85(93)54-51-79-78-26-9-12-30-86(78)95-90(79)89)70-41-33-60(34-42-70)66-20-14-22-69(57-66)91-81-28-10-7-23-75(81)68-21-13-19-65(56-68)59-37-45-73(46-38-59)94-83-52-39-62-16-3-5-24-76(62)87(83)88-77-25-6-4-17-63(77)40-53-84(88)94/h1-57,91H
InChIKeyGRGGMTRDPKEAME-UHFFFAOYSA-N
MW1227.55 g/mol
LogP25.59
Rot. Bonds11

About 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline

2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline (PubChem CID 145313051) has the molecular formula C90H58N4S and a molecular weight of 1227.55 g/mol. Its IUPAC name is 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline
PubChem CID145313051
Molecular FormulaC90H58N4S
Molecular Weight1227.55 g/mol
Exact Mass1226.44
IUPAC Name2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline
SMILESc1cc(Nc2ccccc2-c2cccc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)c2)cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc2)c1
InChIInChI=1S/C90H58N4S/c1-2-18-64-55-67(32-31-58(64)15-1)61-35-43-71(44-36-61)92(72-47-49-74(50-48-72)93-82-29-11-8-27-80(82)89-85(93)54-51-79-78-26-9-12-30-86(78)95-90(79)89)70-41-33-60(34-42-70)66-20-14-22-69(57-66)91-81-28-10-7-23-75(81)68-21-13-19-65(56-68)59-37-45-73(46-38-59)94-83-52-39-62-16-3-5-24-76(62)87(83)88-77-25-6-4-17-63(77)40-53-84(88)94/h1-57,91H
InChIKeyGRGGMTRDPKEAME-UHFFFAOYSA-N
XLogP25.59
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.55
LogP ≤ 525.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;4-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 158348435
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 163486242
N,4-diphenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-2-amine
CID 162150455
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 160770802
N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 160959389
1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 89448343
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
N-[4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 135164558
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905
N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 175616007
N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177101101

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline?
The IUPAC name of 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline (CID 145313051) is 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline.
What is the SMILES notation for 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline?
The canonical SMILES for 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline is c1cc(Nc2ccccc2-c2cccc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)c2)cc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc2)c1.
What is the InChIKey of 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline?
The InChIKey is GRGGMTRDPKEAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H58N4S/c1-2-18-64-55-67(32-31-58(64)15-1)61-35-43-71(44-36-61)92(72-47-49-74(50-48-72)93-82-29-11-8-27-80(82)89-85(93)54-51-79-78-26-9-12-30-86(78)95-90(79)89)70-41-33-60(34-42-70)66-20-14-22-69(57-66)91-81-28-10-7-23-75(81)68-21-13-19-65(56-68)59-37-45-73(46-38-59)94-83-52-39-62-16-3-5-24-76(62)87(83)88-77-25-6-4-17-63(77)40-53-84(88)94/h1-57,91H.
What are the key properties of 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline?
2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline has a molecular weight of 1227.55 g/mol, XLogP of 25.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline is sourced from PubChem (CID 145313051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).