N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline

C68H54N2S — CID 163622933

IUPACN-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESC1=CC2c3ccccc3N(c3ccc(-c4cccc5sc6c(c45)CCCC6)cc3C3C=CC(N(c4ccc(-c5cccc6c5C=CCC6)cc4)c4ccc(-c5cccc6ccccc56)cc4)=CC3)C2C=C1
InChIInChI=1S/C68H54N2S/c1-3-18-54-45(14-1)16-11-23-56(54)47-30-37-51(38-31-47)69(52-39-32-48(33-40-52)57-24-12-17-46-15-2-4-19-55(46)57)53-41-34-49(35-42-53)62-44-50(58-25-13-29-67-68(58)61-22-7-10-28-66(61)71-67)36-43-65(62)70-63-26-8-5-20-59(63)60-21-6-9-27-64(60)70/h1,3-6,8-9,11-14,16-21,23-27,29-34,36-44,49,59,63H,2,7,10,15,22,28,35H2
InChIKeyHPRUAESYHKVHGC-UHFFFAOYSA-N
MW931.26 g/mol
LogP18.39
Rot. Bonds8

About N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline

N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 163622933) has the molecular formula C68H54N2S and a molecular weight of 931.26 g/mol. Its IUPAC name is N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID163622933
Molecular FormulaC68H54N2S
Molecular Weight931.26 g/mol
Exact Mass930.40
IUPAC NameN-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESC1=CC2c3ccccc3N(c3ccc(-c4cccc5sc6c(c45)CCCC6)cc3C3C=CC(N(c4ccc(-c5cccc6c5C=CCC6)cc4)c4ccc(-c5cccc6ccccc56)cc4)=CC3)C2C=C1
InChIInChI=1S/C68H54N2S/c1-3-18-54-45(14-1)16-11-23-56(54)47-30-37-51(38-31-47)69(52-39-32-48(33-40-52)57-24-12-17-46-15-2-4-19-55(46)57)53-41-34-49(35-42-53)62-44-50(58-25-13-29-67-68(58)61-22-7-10-28-66(61)71-67)36-43-65(62)70-63-26-8-5-20-59(63)60-21-6-9-27-64(60)70/h1,3-6,8-9,11-14,16-21,23-27,29-34,36-44,49,59,63H,2,7,10,15,22,28,35H2
InChIKeyHPRUAESYHKVHGC-UHFFFAOYSA-N
XLogP18.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.26
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline with MolForge

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Related Compounds

N-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167235133
2-[4-(4bH-fluoren-1-yl)phenyl]-4-[4-(5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)pyrimidine
CID 166777359
N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(3,6-diphenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 139339098
4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227674
N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155396661
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine
CID 166977802
7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole
CID 167200383
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-1-yl]-4a,9a-dihydrocarbazole
CID 166962394
N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline
CID 167144567
N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine
CID 70918178
2-(4a,9a-dihydrocarbazol-9-yl)-5-[4-(3-oxa-21-azapentacyclo[11.8.0.02,10.04,9.014,20]henicosa-1(13),2(10),4(9),7,11,14(20),15-heptaen-21-yl)cyclohexa-1,5-dien-1-yl]benzonitrile
CID 155299658

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 163622933) is N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline is C1=CC2c3ccccc3N(c3ccc(-c4cccc5sc6c(c45)CCCC6)cc3C3C=CC(N(c4ccc(-c5cccc6c5C=CCC6)cc4)c4ccc(-c5cccc6ccccc56)cc4)=CC3)C2C=C1.
What is the InChIKey of N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is HPRUAESYHKVHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N2S/c1-3-18-54-45(14-1)16-11-23-56(54)47-30-37-51(38-31-47)69(52-39-32-48(33-40-52)57-24-12-17-46-15-2-4-19-55(46)57)53-41-34-49(35-42-53)62-44-50(58-25-13-29-67-68(58)61-22-7-10-28-66(61)71-67)36-43-65(62)70-63-26-8-5-20-59(63)60-21-6-9-27-64(60)70/h1,3-6,8-9,11-14,16-21,23-27,29-34,36-44,49,59,63H,2,7,10,15,22,28,35H2.
What are the key properties of N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 931.26 g/mol, XLogP of 18.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)-5-(6,7,8,9-tetrahydrodibenzothiophen-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-(5,6-dihydronaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 163622933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).