N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine

C37H27NS — CID 90129132

IUPACN-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c1cc(N(c1ccccc1)c1cccc3c1sc1ccccc13)c1ccccc21
InChIInChI=1S/C37H27NS/c1-37(2)30-20-10-8-18-29(30)35-27-17-7-6-15-25(27)33(23-31(35)37)38(24-13-4-3-5-14-24)32-21-12-19-28-26-16-9-11-22-34(26)39-36(28)32/h3-23H,1-2H3
InChIKeyMESBODGKYVOPKO-UHFFFAOYSA-N
MW517.70 g/mol
LogP10.98
Rot. Bonds3

About N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine

N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine (PubChem CID 90129132) has the molecular formula C37H27NS and a molecular weight of 517.70 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
PubChem CID90129132
Molecular FormulaC37H27NS
Molecular Weight517.70 g/mol
Exact Mass517.19
IUPAC NameN-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c1cc(N(c1ccccc1)c1cccc3c1sc1ccccc13)c1ccccc21
InChIInChI=1S/C37H27NS/c1-37(2)30-20-10-8-18-29(30)35-27-17-7-6-15-25(27)33(23-31(35)37)38(24-13-4-3-5-14-24)32-21-12-19-28-26-16-9-11-22-34(26)39-36(28)32/h3-23H,1-2H3
InChIKeyMESBODGKYVOPKO-UHFFFAOYSA-N
XLogP10.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine
CID 140962610
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790008
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
1-N-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-phenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 155096793
5-N,17-N-di(dibenzothiophen-4-yl)-25,25-dimethyl-5-N,17-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,17-diamine
CID 121431423
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
5-N-dibenzothiophen-4-yl-8,8-dimethyl-5-N,16-N,20-triphenyl-16-N-(6-phenyldibenzothiophen-4-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633744
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene
CID 121287741

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine (CID 90129132) is N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine is CC1(C)c2ccccc2-c2c1cc(N(c1ccccc1)c1cccc3c1sc1ccccc13)c1ccccc21.
What is the InChIKey of N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine?
The InChIKey is MESBODGKYVOPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NS/c1-37(2)30-20-10-8-18-29(30)35-27-17-7-6-15-25(27)33(23-31(35)37)38(24-13-4-3-5-14-24)32-21-12-19-28-26-16-9-11-22-34(26)39-36(28)32/h3-23H,1-2H3.
What are the key properties of N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine?
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine has a molecular weight of 517.70 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 90129132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).