N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine

C61H42N2S — CID 118462514

IUPACN-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine

SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6N(c6ccc7sc8ccccc8c7c6)c6cccc7ccccc67)c5)ccc43)ccc21

InChIInChI=1S/C61H42N2S/c1-61(2)53-24-9-5-21-47(53)50-37-43(30-32-54(50)61)63-57-26-11-7-22-48(57)51-36-41(29-33-58(51)63)40-17-13-18-42(35-40)46-20-6-10-25-55(46)62(56-27-14-16-39-15-3-4-19-45(39)56)44-31-34-60-52(38-44)49-23-8-12-28-59(49)64-60/h3-38H,1-2H3

InChIKeyGYZUONKUGPMCPG-UHFFFAOYSA-N

MW835.09 g/mol

LogP17.41

Rot. Bonds6

About N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine

N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine (PubChem CID 118462514) has the molecular formula C61H42N2S and a molecular weight of 835.09 g/mol. Its IUPAC name is N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine.

Molecular Properties

Compound Name	N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
PubChem CID	118462514
Molecular Formula	C61H42N2S
Molecular Weight	835.09 g/mol
Exact Mass	834.31
IUPAC Name	N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
SMILES	CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6N(c6ccc7sc8ccccc8c7c6)c6cccc7ccccc67)c5)ccc43)ccc21
InChI	InChI=1S/C61H42N2S/c1-61(2)53-24-9-5-21-47(53)50-37-43(30-32-54(50)61)63-57-26-11-7-22-48(57)51-36-41(29-33-58(51)63)40-17-13-18-42(35-40)46-20-6-10-25-55(46)62(56-27-14-16-39-15-3-4-19-45(39)56)44-31-34-60-52(38-44)49-23-8-12-28-59(49)64-60/h3-38H,1-2H3
InChIKey	GYZUONKUGPMCPG-UHFFFAOYSA-N
XLogP	17.41
TPSA	8.17 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.09
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?

The IUPAC name of N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine (CID 118462514) is N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine.

What is the SMILES notation for N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?

The canonical SMILES for N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6N(c6ccc7sc8ccccc8c7c6)c6cccc7ccccc67)c5)ccc43)ccc21.

What is the InChIKey of N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?

The InChIKey is GYZUONKUGPMCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2S/c1-61(2)53-24-9-5-21-47(53)50-37-43(30-32-54(50)61)63-57-26-11-7-22-48(57)51-36-41(29-33-58(51)63)40-17-13-18-42(35-40)46-20-6-10-25-55(46)62(56-27-14-16-39-15-3-4-19-45(39)56)44-31-34-60-52(38-44)49-23-8-12-28-59(49)64-60/h3-38H,1-2H3.

What are the key properties of N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?

N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine has a molecular weight of 835.09 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine is sourced from PubChem (CID 118462514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).