N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine

C118H78N2O2 — CID 158862131

IUPACN-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C62H41NO.C56H37NO/c1-3-10-42(11-4-1)44-18-20-45(21-19-44)46-24-30-54(31-25-46)63(56-34-35-58-53(39-56)23-22-48-14-7-8-17-57(48)58)55-32-26-47(27-33-55)51-28-36-61-59(40-51)60-41-52(29-37-62(60)64-61)50-16-9-15-49(38-50)43-12-5-2-6-13-43;1-3-11-38(12-4-1)39-21-23-40(24-22-39)41-27-31-46(32-28-41)57(48-35-36-50-45(37-48)26-25-43-15-7-8-16-49(43)50)47-33-29-44(30-34-47)52-18-10-20-54-53-19-9-17-51(55(53)58-56(52)54)42-13-5-2-6-14-42/h1-41H;1-37H
InChIKeyJAUAJBSDSFIOMJ-UHFFFAOYSA-N
MW1555.93 g/mol
LogP33.73
Rot. Bonds15

About N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine

N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine (PubChem CID 158862131) has the molecular formula C118H78N2O2 and a molecular weight of 1555.93 g/mol. Its IUPAC name is N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
PubChem CID158862131
Molecular FormulaC118H78N2O2
Molecular Weight1555.93 g/mol
Exact Mass1554.61
IUPAC NameN-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1
InChIInChI=1S/C62H41NO.C56H37NO/c1-3-10-42(11-4-1)44-18-20-45(21-19-44)46-24-30-54(31-25-46)63(56-34-35-58-53(39-56)23-22-48-14-7-8-17-57(48)58)55-32-26-47(27-33-55)51-28-36-61-59(40-51)60-41-52(29-37-62(60)64-61)50-16-9-15-49(38-50)43-12-5-2-6-13-43;1-3-11-38(12-4-1)39-21-23-40(24-22-39)41-27-31-46(32-28-41)57(48-35-36-50-45(37-48)26-25-43-15-7-8-16-49(43)50)47-33-29-44(30-34-47)52-18-10-20-54-53-19-9-17-51(55(53)58-56(52)54)42-13-5-2-6-14-42/h1-41H;1-37H
InChIKeyJAUAJBSDSFIOMJ-UHFFFAOYSA-N
XLogP33.73
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001555.93
LogP ≤ 533.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-2-amine
CID 168804810
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
4-naphthalen-2-yl-N-phenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-naphthalen-2-yl-N-[3-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]naphthalen-2-amine;N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164955316
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
CID 174076533
CID 174076533
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine
CID 168804799
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine (CID 158862131) is N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccc(-c8cccc(-c9ccccc9)c8)cc7c6c5)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is JAUAJBSDSFIOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO.C56H37NO/c1-3-10-42(11-4-1)44-18-20-45(21-19-44)46-24-30-54(31-25-46)63(56-34-35-58-53(39-56)23-22-48-14-7-8-17-57(48)58)55-32-26-47(27-33-55)51-28-36-61-59(40-51)60-41-52(29-37-62(60)64-61)50-16-9-15-49(38-50)43-12-5-2-6-13-43;1-3-11-38(12-4-1)39-21-23-40(24-22-39)41-27-31-46(32-28-41)57(48-35-36-50-45(37-48)26-25-43-15-7-8-16-49(43)50)47-33-29-44(30-34-47)52-18-10-20-54-53-19-9-17-51(55(53)58-56(52)54)42-13-5-2-6-14-42/h1-41H;1-37H.
What are the key properties of N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 1555.93 g/mol, XLogP of 33.73, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 158862131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).