N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine

C55H37NS — CID 122504070

IUPACN-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3Cc3ccc5c(sc6ccccc65)c3-4)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H37NS/c1-3-15-37(16-4-1)38-27-30-42(31-28-38)56(52-25-13-11-21-45(52)39-17-5-2-6-18-39)43-32-34-49-51(36-43)47-23-10-9-22-46(47)44-20-8-7-19-40(44)35-41-29-33-50-48-24-12-14-26-53(48)57-55(50)54(41)49/h1-34,36H,35H2
InChIKeyNLVJGRYSQJZYPF-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.76
Rot. Bonds5

About N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine

N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine (PubChem CID 122504070) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine
PubChem CID122504070
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC NameN-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3Cc3ccc5c(sc6ccccc65)c3-4)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H37NS/c1-3-15-37(16-4-1)38-27-30-42(31-28-38)56(52-25-13-11-21-45(52)39-17-5-2-6-18-39)43-32-34-49-51(36-43)47-23-10-9-22-46(47)44-20-8-7-19-40(44)35-41-29-33-50-48-24-12-14-26-53(48)57-55(50)54(41)49/h1-34,36H,35H2
InChIKeyNLVJGRYSQJZYPF-UHFFFAOYSA-N
XLogP15.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine 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-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277433
N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 142377963
N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 138493702
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-[4-(4-naphthalen-2-yldibenzothiophen-3-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine;4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N,N,4-tris(4-phenylphenyl)dibenzothiophen-3-amine
CID 163608762
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
CID 164831984
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine (CID 122504070) is N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3Cc3ccc5c(sc6ccccc65)c3-4)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine?
The InChIKey is NLVJGRYSQJZYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-3-15-37(16-4-1)38-27-30-42(31-28-38)56(52-25-13-11-21-45(52)39-17-5-2-6-18-39)43-32-34-49-51(36-43)47-23-10-9-22-46(47)44-20-8-7-19-40(44)35-41-29-33-50-48-24-12-14-26-53(48)57-55(50)54(41)49/h1-34,36H,35H2.
What are the key properties of N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine?
N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine has a molecular weight of 743.98 g/mol, XLogP of 15.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine is sourced from PubChem (CID 122504070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).