N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C50H32N2O — CID 171737680

IUPACN-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc3ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C50H32N2O/c1-2-16-36(17-3-1)51-44-22-9-8-20-41(44)48-39(21-11-24-45(48)51)35-27-30-37(31-28-35)52(43-23-10-15-33-13-4-6-18-38(33)43)46-25-12-26-47-49(46)42-32-29-34-14-5-7-19-40(34)50(42)53-47/h1-32H/i27D,28D,30D,31D
InChIKeySEBFLQPNYQBUIU-RYCRDEDGSA-N
MW680.84 g/mol
LogP14.13
Rot. Bonds5

About N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737680) has the molecular formula C50H32N2O and a molecular weight of 680.84 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737680
Molecular FormulaC50H32N2O
Molecular Weight680.84 g/mol
Exact Mass680.28
IUPAC NameN-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc3ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C50H32N2O/c1-2-16-36(17-3-1)51-44-22-9-8-20-41(44)48-39(21-11-24-45(48)51)35-27-30-37(31-28-35)52(43-23-10-15-33-13-4-6-18-38(33)43)46-25-12-26-47-49(46)42-32-29-34-14-5-7-19-40(34)50(42)53-47/h1-32H/i27D,28D,30D,31D
InChIKeySEBFLQPNYQBUIU-RYCRDEDGSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737415
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739231
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738232
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-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738043
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737943
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738220
N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-4-yl)phenyl]-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 171738078
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739169
N-naphthalen-1-yl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739606
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738692
N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738262

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171737680) is N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2cccc3ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is SEBFLQPNYQBUIU-RYCRDEDGSA-N. The full InChI is InChI=1S/C50H32N2O/c1-2-16-36(17-3-1)51-44-22-9-8-20-41(44)48-39(21-11-24-45(48)51)35-27-30-37(31-28-35)52(43-23-10-15-33-13-4-6-18-38(33)43)46-25-12-26-47-49(46)42-32-29-34-14-5-7-19-40(34)50(42)53-47/h1-32H/i27D,28D,30D,31D.
What are the key properties of N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 680.84 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).