4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine

C60H38N2O2 — CID 176608263

IUPAC4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(oc5ccccc54)c3-c3ccccc3-n3c4ccccc4c4ccccc43)c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4oc4c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C60H38N2O2/c1-2-15-39(16-3-1)40-29-33-42(34-30-40)61(43-35-31-41(32-36-43)44-22-14-23-49-47-19-7-12-27-56(47)63-59(44)49)55-38-37-50-48-20-8-13-28-57(48)64-60(50)58(55)51-21-6-11-26-54(51)62-52-24-9-4-17-45(52)46-18-5-10-25-53(46)62/h1-38H/i1D,2D,3D,7D,12D,14D,15D,16D,19D,22D,23D,27D,29D,30D,31D,32D,33D,34D,35D,36D
InChIKeyIDKTUHHZVBTSTP-KCLMFRQRSA-N
MW839.10 g/mol
LogP17.05
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine

4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine (PubChem CID 176608263) has the molecular formula C60H38N2O2 and a molecular weight of 839.10 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
PubChem CID176608263
Molecular FormulaC60H38N2O2
Molecular Weight839.10 g/mol
Exact Mass838.42
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(oc5ccccc54)c3-c3ccccc3-n3c4ccccc4c4ccccc43)c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4oc4c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C60H38N2O2/c1-2-15-39(16-3-1)40-29-33-42(34-30-40)61(43-35-31-41(32-36-43)44-22-14-23-49-47-19-7-12-27-56(47)63-59(44)49)55-38-37-50-48-20-8-13-28-57(48)64-60(50)58(55)51-21-6-11-26-54(51)62-52-24-9-4-17-45(52)46-18-5-10-25-53(46)62/h1-38H/i1D,2D,3D,7D,12D,14D,15D,16D,19D,22D,23D,27D,29D,30D,31D,32D,33D,34D,35D,36D
InChIKeyIDKTUHHZVBTSTP-KCLMFRQRSA-N
XLogP17.05
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.10
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
CID 176608256
1,2,6,7,8,9-hexadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-4-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
CID 176610006
N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739470
4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-amine
CID 176608019
4-(4-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
CID 176608970
4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine
CID 176607761
4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176609274
1,2,6,7,8,9-hexadeuterio-4-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)phenyl]-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 176609883
1,2,6,7,8,9-hexadeuterio-4-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7-heptadeuteriocarbazol-9-yl)phenyl]-N,N-bis[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 176607814
N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737370
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-3-amine
CID 176609874
2,3,5,6-tetradeuterio-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4-trideuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384011

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine (CID 176608263) is 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc4c(oc5ccccc54)c3-c3ccccc3-n3c4ccccc4c4ccccc43)c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4oc4c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is IDKTUHHZVBTSTP-KCLMFRQRSA-N. The full InChI is InChI=1S/C60H38N2O2/c1-2-15-39(16-3-1)40-29-33-42(34-30-40)61(43-35-31-41(32-36-43)44-22-14-23-49-47-19-7-12-27-56(47)63-59(44)49)55-38-37-50-48-20-8-13-28-57(48)64-60(50)58(55)51-21-6-11-26-54(51)62-52-24-9-4-17-45(52)46-18-5-10-25-53(46)62/h1-38H/i1D,2D,3D,7D,12D,14D,15D,16D,19D,22D,23D,27D,29D,30D,31D,32D,33D,34D,35D,36D.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?
4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 839.10 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 176608263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).