N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine

C42H24F2N2OS — CID 163622130

IUPACN-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine
SMILESFc1ccc2oc3c(c(N(c4ccc(-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)cc4[nH]c5ccc(F)cc5c43)c2c1
InChIInChI=1S/C42H24F2N2OS/c43-26-15-19-32-30(21-26)39-33(45-32)23-35(41-31-22-27(44)16-20-36(31)47-42(39)41)46(28-17-13-25(14-18-28)24-7-2-1-3-8-24)34-10-6-12-38-40(34)29-9-4-5-11-37(29)48-38/h1-23,45H
InChIKeyHOZLXODWNPUMEC-UHFFFAOYSA-N
MW642.73 g/mol
LogP13.00
Rot. Bonds4

About N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine

N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine (PubChem CID 163622130) has the molecular formula C42H24F2N2OS and a molecular weight of 642.73 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine
PubChem CID163622130
Molecular FormulaC42H24F2N2OS
Molecular Weight642.73 g/mol
Exact Mass642.16
IUPAC NameN-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine
SMILESFc1ccc2oc3c(c(N(c4ccc(-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)cc4[nH]c5ccc(F)cc5c43)c2c1
InChIInChI=1S/C42H24F2N2OS/c43-26-15-19-32-30(21-26)39-33(45-32)23-35(41-31-22-27(44)16-20-36(31)47-42(39)41)46(28-17-13-25(14-18-28)24-7-2-1-3-8-24)34-10-6-12-38-40(34)29-9-4-5-11-37(29)48-38/h1-23,45H
InChIKeyHOZLXODWNPUMEC-UHFFFAOYSA-N
XLogP13.00
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.73
LogP ≤ 513.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
7,14,23-Trifluoro-18,27-diphenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 117725995
8-Fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene
CID 126678120
6,21-Difluoro-9-oxa-18-thia-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.019,24]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),19(24),20,22,26-tridecaene
CID 130381643
29-(4-Carbazol-9-ylphenyl)-6,21-difluoro-9-oxa-18-thia-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.019,24]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),19(24),20,22,26-tridecaene
CID 130382005
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499590
N-dibenzofuran-3-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-2-amine
CID 138548948
N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
CID 138549035
N-dibenzofuran-3-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
CID 138549040
N-dibenzofuran-3-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 138549045
N-dibenzofuran-1-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine
CID 138549194
N-dibenzofuran-3-yl-N-[9-(3-fluorophenyl)carbazol-4-yl]-9-phenylcarbazol-4-amine
CID 138549198

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine?
The IUPAC name of N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine (CID 163622130) is N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine is Fc1ccc2oc3c(c(N(c4ccc(-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)cc4[nH]c5ccc(F)cc5c43)c2c1.
What is the InChIKey of N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine?
The InChIKey is HOZLXODWNPUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F2N2OS/c43-26-15-19-32-30(21-26)39-33(45-32)23-35(41-31-22-27(44)16-20-36(31)47-42(39)41)46(28-17-13-25(14-18-28)24-7-2-1-3-8-24)34-10-6-12-38-40(34)29-9-4-5-11-37(29)48-38/h1-23,45H.
What are the key properties of N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine?
N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine has a molecular weight of 642.73 g/mol, XLogP of 13.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-2,9-difluoro-N-(4-phenylphenyl)-5H-[1]benzofuro[3,2-c]carbazol-7-amine is sourced from PubChem (CID 163622130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).