N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine

C66H40N2OS — CID 89492114

IUPACN-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C66H40N2OS/c1-2-13-45(14-3-1)67(61-21-12-23-63-66(61)54-20-8-10-22-62(54)69-63)46-30-25-41(26-31-46)42-27-34-59-56(37-42)57-38-43(44-29-36-65-58(39-44)53-19-9-11-24-64(53)70-65)28-35-60(57)68(59)47-32-33-52-50-17-5-4-15-48(50)49-16-6-7-18-51(49)55(52)40-47/h1-40H
InChIKeyINMDMOXZGUXRCZ-UHFFFAOYSA-N
MW909.13 g/mol
LogP19.31
Rot. Bonds6

About N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine

N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine (PubChem CID 89492114) has the molecular formula C66H40N2OS and a molecular weight of 909.13 g/mol. Its IUPAC name is N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine
PubChem CID89492114
Molecular FormulaC66H40N2OS
Molecular Weight909.13 g/mol
Exact Mass908.29
IUPAC NameN-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C66H40N2OS/c1-2-13-45(14-3-1)67(61-21-12-23-63-66(61)54-20-8-10-22-62(54)69-63)46-30-25-41(26-31-46)42-27-34-59-56(37-42)57-38-43(44-29-36-65-58(39-44)53-19-9-11-24-64(53)70-65)28-35-60(57)68(59)47-32-33-52-50-17-5-4-15-48(50)49-16-6-7-18-51(49)55(52)40-47/h1-40H
InChIKeyINMDMOXZGUXRCZ-UHFFFAOYSA-N
XLogP19.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.13
LogP ≤ 519.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
CID 129291104
N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine
CID 129085125
N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 129085144
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085321
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
CID 129123770
19-(3,5-Diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 129141836
4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
CID 129225547
4-[3-(9-Dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole
CID 129225640
4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole
CID 129225641
Triphenyl-[11-[4-(4-phenyl-6,7-dihydroquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazol-8-yl]-lambda4-sulfane
CID 129238885
12-(4-Phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 129290134
5-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile
CID 129290845

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine (CID 89492114) is N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6sc7ccccc7c6c5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The InChIKey is INMDMOXZGUXRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2OS/c1-2-13-45(14-3-1)67(61-21-12-23-63-66(61)54-20-8-10-22-62(54)69-63)46-30-25-41(26-31-46)42-27-34-59-56(37-42)57-38-43(44-29-36-65-58(39-44)53-19-9-11-24-64(53)70-65)28-35-60(57)68(59)47-32-33-52-50-17-5-4-15-48(50)49-16-6-7-18-51(49)55(52)40-47/h1-40H.
What are the key properties of N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine?
N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine has a molecular weight of 909.13 g/mol, XLogP of 19.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 89492114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).