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

C69H44N2 — CID 118103064

IUPACN-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C69H44N2/c1-2-19-48(20-3-1)70(50-39-40-58-57-27-12-16-32-64(57)69(65(58)44-50)62-30-14-10-25-55(62)56-26-11-15-31-63(56)69)49-37-34-45(35-38-49)51-21-6-7-22-52(51)47-36-41-67-61(42-47)60-29-13-17-33-66(60)71(67)68-43-46-18-4-5-23-53(46)54-24-8-9-28-59(54)68/h1-44H
InChIKeyCDVPHZJSVLFSAN-UHFFFAOYSA-N
MW901.12 g/mol
LogP18.24
Rot. Bonds6

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

N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118103064) has the molecular formula C69H44N2 and a molecular weight of 901.12 g/mol. Its IUPAC name is N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID118103064
Molecular FormulaC69H44N2
Molecular Weight901.12 g/mol
Exact Mass900.35
IUPAC NameN-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C69H44N2/c1-2-19-48(20-3-1)70(50-39-40-58-57-27-12-16-32-64(57)69(65(58)44-50)62-30-14-10-25-55(62)56-26-11-15-31-63(56)69)49-37-34-45(35-38-49)51-21-6-7-22-52(51)47-36-41-67-61(42-47)60-29-13-17-33-66(60)71(67)68-43-46-18-4-5-23-53(46)54-24-8-9-28-59(54)68/h1-44H
InChIKeyCDVPHZJSVLFSAN-UHFFFAOYSA-N
XLogP18.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.12
LogP ≤ 518.24
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-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118103067
9-phenanthren-9-yl-3-[4-[7'-[4-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236178
9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole
CID 59236774
N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118087830
4-[9-phenanthren-9-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 142424808
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122414007
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160543071

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 118103064) is N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is CDVPHZJSVLFSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2/c1-2-19-48(20-3-1)70(50-39-40-58-57-27-12-16-32-64(57)69(65(58)44-50)62-30-14-10-25-55(62)56-26-11-15-31-63(56)69)49-37-34-45(35-38-49)51-21-6-7-22-52(51)47-36-41-67-61(42-47)60-29-13-17-33-66(60)71(67)68-43-46-18-4-5-23-53(46)54-24-8-9-28-59(54)68/h1-44H.
What are the key properties of N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 901.12 g/mol, XLogP of 18.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118103064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).