N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine

C72H45NO — CID 154936079

IUPACN-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cc3cc(-c4ccc5c(ccc6ccc(-c7cccc(N(c8ccc(-c9cc%10ccccc%10c%10ccccc9%10)cc8)c8cccc9c8oc8ccccc89)c7)cc65)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C72H45NO/c1-2-14-46(15-3-1)69-45-55-41-51(35-39-60(55)62-21-7-9-23-64(62)69)50-34-38-59-54(40-50)31-29-47-28-30-52(43-67(47)59)49-17-12-18-57(42-49)73(70-26-13-25-66-65-24-10-11-27-71(65)74-72(66)70)56-36-32-48(33-37-56)68-44-53-16-4-5-19-58(53)61-20-6-8-22-63(61)68/h1-45H
InChIKeyLTBOBBJARISYEF-UHFFFAOYSA-N
MW940.16 g/mol
LogP20.64
Rot. Bonds7

About N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine

N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine (PubChem CID 154936079) has the molecular formula C72H45NO and a molecular weight of 940.16 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
PubChem CID154936079
Molecular FormulaC72H45NO
Molecular Weight940.16 g/mol
Exact Mass939.35
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cc3cc(-c4ccc5c(ccc6ccc(-c7cccc(N(c8ccc(-c9cc%10ccccc%10c%10ccccc9%10)cc8)c8cccc9c8oc8ccccc89)c7)cc65)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C72H45NO/c1-2-14-46(15-3-1)69-45-55-41-51(35-39-60(55)62-21-7-9-23-64(62)69)50-34-38-59-54(40-50)31-29-47-28-30-52(43-67(47)59)49-17-12-18-57(42-49)73(70-26-13-25-66-65-24-10-11-27-71(65)74-72(66)70)56-36-32-48(33-37-56)68-44-53-16-4-5-19-58(53)61-20-6-8-22-63(61)68/h1-45H
InChIKeyLTBOBBJARISYEF-UHFFFAOYSA-N
XLogP20.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.16
LogP ≤ 520.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine
CID 167330132
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-4-amine
CID 166939558
N-(3-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737741
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-(3-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 169007710
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170140380
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177080706

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine (CID 154936079) is N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine is c1ccc(-c2cc3cc(-c4ccc5c(ccc6ccc(-c7cccc(N(c8ccc(-c9cc%10ccccc%10c%10ccccc9%10)cc8)c8cccc9c8oc8ccccc89)c7)cc65)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is LTBOBBJARISYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45NO/c1-2-14-46(15-3-1)69-45-55-41-51(35-39-60(55)62-21-7-9-23-64(62)69)50-34-38-59-54(40-50)31-29-47-28-30-52(43-67(47)59)49-17-12-18-57(42-49)73(70-26-13-25-66-65-24-10-11-27-71(65)74-72(66)70)56-36-32-48(33-37-56)68-44-53-16-4-5-19-58(53)61-20-6-8-22-63(61)68/h1-45H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine?
N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 940.16 g/mol, XLogP of 20.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 154936079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).