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

C68H44N2O — CID 168848110

IUPACN-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C68H44N2O/c1-3-17-49(18-4-1)54-40-43-64(67-60-25-12-14-29-65(60)71-68(54)67)70(53-38-36-47(37-39-53)46-30-32-48(33-31-46)51-35-34-45-16-7-8-19-50(45)44-51)62-42-41-56(55-22-9-10-23-57(55)62)58-26-15-28-63-66(58)59-24-11-13-27-61(59)69(63)52-20-5-2-6-21-52/h1-44H
InChIKeyHQAWMKDXDYSGGB-UHFFFAOYSA-N
MW905.11 g/mol
LogP19.13
Rot. Bonds8

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

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine (PubChem CID 168848110) has the molecular formula C68H44N2O and a molecular weight of 905.11 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
PubChem CID168848110
Molecular FormulaC68H44N2O
Molecular Weight905.11 g/mol
Exact Mass904.35
IUPAC NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccccc34)c3c2oc2ccccc23)cc1
InChIInChI=1S/C68H44N2O/c1-3-17-49(18-4-1)54-40-43-64(67-60-25-12-14-29-65(60)71-68(54)67)70(53-38-36-47(37-39-53)46-30-32-48(33-31-46)51-35-34-45-16-7-8-19-50(45)44-51)62-42-41-56(55-22-9-10-23-57(55)62)58-26-15-28-63-66(58)59-24-11-13-27-61(59)69(63)52-20-5-2-6-21-52/h1-44H
InChIKeyHQAWMKDXDYSGGB-UHFFFAOYSA-N
XLogP19.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.11
LogP ≤ 519.13
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)phenyl]dibenzofuran-1-amine
CID 168847677
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
CID 168847740
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-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
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608337
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
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine (CID 168848110) is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccccc34)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine?
The InChIKey is HQAWMKDXDYSGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O/c1-3-17-49(18-4-1)54-40-43-64(67-60-25-12-14-29-65(60)71-68(54)67)70(53-38-36-47(37-39-53)46-30-32-48(33-31-46)51-35-34-45-16-7-8-19-50(45)44-51)62-42-41-56(55-22-9-10-23-57(55)62)58-26-15-28-63-66(58)59-24-11-13-27-61(59)69(63)52-20-5-2-6-21-52/h1-44H.
What are the key properties of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine?
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine has a molecular weight of 905.11 g/mol, XLogP of 19.13, 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)naphthalen-1-yl]dibenzofuran-1-amine is sourced from PubChem (CID 168848110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).