N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

C69H43NO — CID 168805359

IUPACN-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C69H43NO/c1-3-14-44(15-4-1)50-31-37-58-56-20-9-11-24-63(56)69(65(58)41-50)64-25-12-10-21-57(64)59-38-36-53(43-66(59)69)70(52-35-30-48-27-26-47-18-7-8-19-54(47)61(48)42-52)51-33-28-45(29-34-51)49-32-39-67-62(40-49)60-23-13-22-55(68(60)71-67)46-16-5-2-6-17-46/h1-43H
InChIKeyHSGXXVNJCLSDDZ-UHFFFAOYSA-N
MW902.11 g/mol
LogP18.71
Rot. Bonds6

About N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 168805359) has the molecular formula C69H43NO and a molecular weight of 902.11 g/mol. Its IUPAC name is N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
PubChem CID168805359
Molecular FormulaC69H43NO
Molecular Weight902.11 g/mol
Exact Mass901.33
IUPAC NameN-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C69H43NO/c1-3-14-44(15-4-1)50-31-37-58-56-20-9-11-24-63(56)69(65(58)41-50)64-25-12-10-21-57(64)59-38-36-53(43-66(59)69)70(52-35-30-48-27-26-47-18-7-8-19-54(47)61(48)42-52)51-33-28-45(29-34-51)49-32-39-67-62(40-49)60-23-13-22-55(68(60)71-67)46-16-5-2-6-17-46/h1-43H
InChIKeyHSGXXVNJCLSDDZ-UHFFFAOYSA-N
XLogP18.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.11
LogP ≤ 518.71
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-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168805215
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 145242811
N-phenyl-N-(4-phenylphenyl)-8-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yldibenzofuran-2-amine
CID 135299719
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168805131
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (CID 168805359) is N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is HSGXXVNJCLSDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43NO/c1-3-14-44(15-4-1)50-31-37-58-56-20-9-11-24-63(56)69(65(58)41-50)64-25-12-10-21-57(64)59-38-36-53(43-66(59)69)70(52-35-30-48-27-26-47-18-7-8-19-54(47)61(48)42-52)51-33-28-45(29-34-51)49-32-39-67-62(40-49)60-23-13-22-55(68(60)71-67)46-16-5-2-6-17-46/h1-43H.
What are the key properties of N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 902.11 g/mol, XLogP of 18.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 168805359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).