N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine

C72H50N2O2 — CID 118148525

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine
SMILESCC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)C(C)(C)c3c-4ccc4oc5ccccc5c34)cc21
InChIInChI=1S/C72H50N2O2/c1-71(2)60-40-46(45-26-37-67-59(39-45)56-15-7-11-19-65(56)75-67)25-33-51(60)52-34-31-49(41-61(52)71)73(50-32-35-53-57-36-38-68-69(58-16-8-12-20-66(58)76-68)70(57)72(3,4)62(53)42-50)47-27-21-43(22-28-47)44-23-29-48(30-24-44)74-63-17-9-5-13-54(63)55-14-6-10-18-64(55)74/h5-42H,1-4H3
InChIKeyJUWJHKNSKBNOPK-UHFFFAOYSA-N
MW975.20 g/mol
LogP20.00
Rot. Bonds6

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine (PubChem CID 118148525) has the molecular formula C72H50N2O2 and a molecular weight of 975.20 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine
PubChem CID118148525
Molecular FormulaC72H50N2O2
Molecular Weight975.20 g/mol
Exact Mass974.39
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine
SMILESCC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)C(C)(C)c3c-4ccc4oc5ccccc5c34)cc21
InChIInChI=1S/C72H50N2O2/c1-71(2)60-40-46(45-26-37-67-59(39-45)56-15-7-11-19-65(56)75-67)25-33-51(60)52-34-31-49(41-61(52)71)73(50-32-35-53-57-36-38-68-69(58-16-8-12-20-66(58)76-68)70(57)72(3,4)62(53)42-50)47-27-21-43(22-28-47)44-23-29-48(30-24-44)74-63-17-9-5-13-54(63)55-14-6-10-18-64(55)74/h5-42H,1-4H3
InChIKeyJUWJHKNSKBNOPK-UHFFFAOYSA-N
XLogP20.00
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.20
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine (CID 118148525) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)C(C)(C)c3c-4ccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine?
The InChIKey is JUWJHKNSKBNOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2O2/c1-71(2)60-40-46(45-26-37-67-59(39-45)56-15-7-11-19-65(56)75-67)25-33-51(60)52-34-31-49(41-61(52)71)73(50-32-35-53-57-36-38-68-69(58-16-8-12-20-66(58)76-68)70(57)72(3,4)62(53)42-50)47-27-21-43(22-28-47)44-23-29-48(30-24-44)74-63-17-9-5-13-54(63)55-14-6-10-18-64(55)74/h5-42H,1-4H3.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine has a molecular weight of 975.20 g/mol, XLogP of 20.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 118148525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).