N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine

C68H42N2O2 — CID 168847740

IUPACN-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)c5c4oc4ccccc45)cccc32)cc1
InChIInChI=1S/C68H42N2O2/c1-2-21-46(22-3-1)69-58-31-11-8-25-55(58)64-52(30-16-32-59(64)69)54-40-42-61(66-57-27-10-13-34-63(57)72-68(54)66)70(47-37-35-45(36-38-47)49-28-14-19-43-17-4-6-23-48(43)49)60-41-39-53(51-29-15-20-44-18-5-7-24-50(44)51)67-65(60)56-26-9-12-33-62(56)71-67/h1-42H
InChIKeyKYEOGUYNESXENH-UHFFFAOYSA-N
MW919.10 g/mol
LogP19.36
Rot. Bonds7

About N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine

N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine (PubChem CID 168847740) has the molecular formula C68H42N2O2 and a molecular weight of 919.10 g/mol. Its IUPAC name is N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
PubChem CID168847740
Molecular FormulaC68H42N2O2
Molecular Weight919.10 g/mol
Exact Mass918.32
IUPAC NameN-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)c5c4oc4ccccc45)cccc32)cc1
InChIInChI=1S/C68H42N2O2/c1-2-21-46(22-3-1)69-58-31-11-8-25-55(58)64-52(30-16-32-59(64)69)54-40-42-61(66-57-27-10-13-34-63(57)72-68(54)66)70(47-37-35-45(36-38-47)49-28-14-19-43-17-4-6-23-48(43)49)60-41-39-53(51-29-15-20-44-18-5-7-24-50(44)51)67-65(60)56-26-9-12-33-62(56)71-67/h1-42H
InChIKeyKYEOGUYNESXENH-UHFFFAOYSA-N
XLogP19.36
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.10
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847918
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
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 168848110
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847677
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608439
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
CID 58510953

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine (CID 168847740) is N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)c5c4oc4ccccc45)cccc32)cc1.
What is the InChIKey of N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine?
The InChIKey is KYEOGUYNESXENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2O2/c1-2-21-46(22-3-1)69-58-31-11-8-25-55(58)64-52(30-16-32-59(64)69)54-40-42-61(66-57-27-10-13-34-63(57)72-68(54)66)70(47-37-35-45(36-38-47)49-28-14-19-43-17-4-6-23-48(43)49)60-41-39-53(51-29-15-20-44-18-5-7-24-50(44)51)67-65(60)56-26-9-12-33-62(56)71-67/h1-42H.
What are the key properties of N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine?
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine has a molecular weight of 919.10 g/mol, XLogP of 19.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 168847740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).