N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine

C64H42N2O — CID 168847677

IUPACN-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C64H42N2O/c1-3-15-47(16-4-1)55-40-41-60(63-57-21-10-12-25-61(57)67-64(55)63)65(52-36-32-45(33-37-52)44-26-28-46(29-27-44)50-31-30-43-14-7-8-17-49(43)42-50)53-38-34-48(35-39-53)54-22-13-24-59-62(54)56-20-9-11-23-58(56)66(59)51-18-5-2-6-19-51/h1-42H
InChIKeyVRIPXISMVFWHOC-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine (PubChem CID 168847677) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
PubChem CID168847677
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C64H42N2O/c1-3-15-47(16-4-1)55-40-41-60(63-57-21-10-12-25-61(57)67-64(55)63)65(52-36-32-45(33-37-52)44-26-28-46(29-27-44)50-31-30-43-14-7-8-17-49(43)42-50)53-38-34-48(35-39-53)54-22-13-24-59-62(54)56-20-9-11-23-58(56)66(59)51-18-5-2-6-19-51/h1-42H
InChIKeyVRIPXISMVFWHOC-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 168848110
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847918
4-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609043
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820754
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(9-phenylcarbazol-4-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848073
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 135164574
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168847734
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
CID 168847740
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176608048

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine (CID 168847677) is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is VRIPXISMVFWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-15-47(16-4-1)55-40-41-60(63-57-21-10-12-25-61(57)67-64(55)63)65(52-36-32-45(33-37-52)44-26-28-46(29-27-44)50-31-30-43-14-7-8-17-49(43)42-50)53-38-34-48(35-39-53)54-22-13-24-59-62(54)56-20-9-11-23-58(56)66(59)51-18-5-2-6-19-51/h1-42H.
What are the key properties of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine?
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168847677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).