N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine

C61H42N2S — CID 177122369

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc21
InChIInChI=1S/C61H42N2S/c1-61(2)55-21-10-8-17-49(55)50-34-28-42(37-56(50)61)39-23-29-44(30-24-39)62(46-33-36-52-51-18-9-11-22-57(51)63(58(52)38-46)43-14-4-3-5-15-43)45-31-25-41(26-32-45)48-19-12-20-53-54-35-27-40-13-6-7-16-47(40)60(54)64-59(48)53/h3-38H,1-2H3
InChIKeyIEWNHARAZZISOP-UHFFFAOYSA-N
MW835.09 g/mol
LogP17.41
Rot. Bonds6

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 177122369) has the molecular formula C61H42N2S and a molecular weight of 835.09 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine
PubChem CID177122369
Molecular FormulaC61H42N2S
Molecular Weight835.09 g/mol
Exact Mass834.31
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc21
InChIInChI=1S/C61H42N2S/c1-61(2)55-21-10-8-17-49(55)50-34-28-42(37-56(50)61)39-23-29-44(30-24-39)62(46-33-36-52-51-18-9-11-22-57(51)63(58(52)38-46)43-14-4-3-5-15-43)45-31-25-41(26-32-45)48-19-12-20-53-54-35-27-40-13-6-7-16-47(40)60(54)64-59(48)53/h3-38H,1-2H3
InChIKeyIEWNHARAZZISOP-UHFFFAOYSA-N
XLogP17.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.09
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 150047610
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212902
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212856
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038406
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 89212871
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)fluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-2-yl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 161359621
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 161237159
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine (CID 177122369) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine?
The InChIKey is IEWNHARAZZISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2S/c1-61(2)55-21-10-8-17-49(55)50-34-28-42(37-56(50)61)39-23-29-44(30-24-39)62(46-33-36-52-51-18-9-11-22-57(51)63(58(52)38-46)43-14-4-3-5-15-43)45-31-25-41(26-32-45)48-19-12-20-53-54-35-27-40-13-6-7-16-47(40)60(54)64-59(48)53/h3-38H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 177122369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).