4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine

C61H40N2OS — CID 122462728

IUPAC4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C61H40N2OS/c1-61(2)53-21-11-8-18-44(53)45-27-25-42(36-54(45)61)62(40-16-4-3-5-17-40)43-34-48(60-52(35-43)46-19-9-12-22-57(46)64-60)39-24-28-55-49(31-39)50-30-37-14-6-7-15-38(37)32-56(50)63(55)41-26-29-59-51(33-41)47-20-10-13-23-58(47)65-59/h3-36H,1-2H3
InChIKeyMMQBGYTUXSDKJW-UHFFFAOYSA-N
MW849.07 g/mol
LogP17.65
Rot. Bonds5

About 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine

4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine (PubChem CID 122462728) has the molecular formula C61H40N2OS and a molecular weight of 849.07 g/mol. Its IUPAC name is 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine
PubChem CID122462728
Molecular FormulaC61H40N2OS
Molecular Weight849.07 g/mol
Exact Mass848.29
IUPAC Name4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C61H40N2OS/c1-61(2)53-21-11-8-18-44(53)45-27-25-42(36-54(45)61)62(40-16-4-3-5-17-40)43-34-48(60-52(35-43)46-19-9-12-22-57(46)64-60)39-24-28-55-49(31-39)50-30-37-14-6-7-15-38(37)32-56(50)63(55)41-26-29-59-51(33-41)47-20-10-13-23-58(47)65-59/h3-36H,1-2H3
InChIKeyMMQBGYTUXSDKJW-UHFFFAOYSA-N
XLogP17.65
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.07
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-2-amine
CID 158402142
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-diphenyldibenzofuran-2-amine;N,N-diphenyl-4-(9-phenylcarbazol-3-yl)dibenzofuran-2-amine
CID 159548783
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-2-amine;4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 158296890
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140919383
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951
N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
CID 122462840
4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 157317225
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine
CID 118333317
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158039277
9,9-dimethyl-N-[3-(4-naphthalen-1-ylphenyl)-5-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[3-[2-(9-phenylcarbazol-2-yl)-4-(3-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-[2-(9-phenylcarbazol-2-yl)-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 159694392

Frequently Asked Questions

What is the IUPAC name of 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine?
The IUPAC name of 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine (CID 122462728) is 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc21.
What is the InChIKey of 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine?
The InChIKey is MMQBGYTUXSDKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2OS/c1-61(2)53-21-11-8-18-44(53)45-27-25-42(36-54(45)61)62(40-16-4-3-5-17-40)43-34-48(60-52(35-43)46-19-9-12-22-57(46)64-60)39-24-28-55-49(31-39)50-30-37-14-6-7-15-38(37)32-56(50)63(55)41-26-29-59-51(33-41)47-20-10-13-23-58(47)65-59/h3-36H,1-2H3.
What are the key properties of 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine?
4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine has a molecular weight of 849.07 g/mol, XLogP of 17.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 122462728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).