N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine

C51H34N2OS — CID 121329664

IUPACN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine
SMILESCC1(C)c2cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C51H34N2OS/c1-51(2)42-29-32(22-25-34(42)35-26-23-33(30-43(35)51)53-44-17-7-3-12-36(44)37-13-4-8-18-45(37)53)52(31-24-27-49-41(28-31)39-15-6-10-21-48(39)55-49)46-19-11-16-40-38-14-5-9-20-47(38)54-50(40)46/h3-30H,1-2H3
InChIKeyVSQHLSZRIWEXJV-UHFFFAOYSA-N
MW722.91 g/mol
LogP14.83
Rot. Bonds4

About N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine (PubChem CID 121329664) has the molecular formula C51H34N2OS and a molecular weight of 722.91 g/mol. Its IUPAC name is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine
PubChem CID121329664
Molecular FormulaC51H34N2OS
Molecular Weight722.91 g/mol
Exact Mass722.24
IUPAC NameN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine
SMILESCC1(C)c2cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C51H34N2OS/c1-51(2)42-29-32(22-25-34(42)35-26-23-33(30-43(35)51)53-44-17-7-3-12-36(44)37-13-4-8-18-45(37)53)52(31-24-27-49-41(28-31)39-15-6-10-21-48(39)55-49)46-19-11-16-40-38-14-5-9-20-47(38)54-50(40)46/h3-30H,1-2H3
InChIKeyVSQHLSZRIWEXJV-UHFFFAOYSA-N
XLogP14.83
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.91
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 67964581
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
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 71038532
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 160893583
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 166003188
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-amine;N,N-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N,9-diphenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylcarbazol-3-amine;N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-yldibenzofuran-4-amine;N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-yldibenzothiophen-4-amine
CID 158101020
7-carbazol-9-yl-N-[4-[3-[3-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 88848908
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
N-dibenzofuran-4-yl-N-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenylcarbazol-3-amine
CID 167036314
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711

Frequently Asked Questions

What is the IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine?
The IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine (CID 121329664) is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine?
The canonical SMILES for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine is CC1(C)c2cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine?
The InChIKey is VSQHLSZRIWEXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2OS/c1-51(2)42-29-32(22-25-34(42)35-26-23-33(30-43(35)51)53-44-17-7-3-12-36(44)37-13-4-8-18-45(37)53)52(31-24-27-49-41(28-31)39-15-6-10-21-48(39)55-49)46-19-11-16-40-38-14-5-9-20-47(38)54-50(40)46/h3-30H,1-2H3.
What are the key properties of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine?
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine has a molecular weight of 722.91 g/mol, XLogP of 14.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine is sourced from PubChem (CID 121329664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).