N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine

C73H46N2 — CID 130309110

IUPACN-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6cccc7c8ccccc8c8ccccc8c67)cc5)cc4)cccc32)cc1
InChIInChI=1S/C73H46N2/c1-2-18-50(19-3-1)75-68-33-15-11-27-63(68)71-53(28-16-35-70(71)75)49-38-36-47(37-39-49)48-40-42-51(43-41-48)74(69-34-17-29-62-56-21-5-4-20-54(56)55-22-6-7-26-61(55)72(62)69)52-44-45-60-59-25-10-14-32-66(59)73(67(60)46-52)64-30-12-8-23-57(64)58-24-9-13-31-65(58)73/h1-46H
InChIKeyHBMIRSXZJZNTGY-UHFFFAOYSA-N
MW951.19 g/mol
LogP19.39
Rot. Bonds6

About N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine

N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 130309110) has the molecular formula C73H46N2 and a molecular weight of 951.19 g/mol. Its IUPAC name is N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID130309110
Molecular FormulaC73H46N2
Molecular Weight951.19 g/mol
Exact Mass950.37
IUPAC NameN-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6cccc7c8ccccc8c8ccccc8c67)cc5)cc4)cccc32)cc1
InChIInChI=1S/C73H46N2/c1-2-18-50(19-3-1)75-68-33-15-11-27-63(68)71-53(28-16-35-70(71)75)49-38-36-47(37-39-49)48-40-42-51(43-41-48)74(69-34-17-29-62-56-21-5-4-20-54(56)55-22-6-7-26-61(55)72(62)69)52-44-45-60-59-25-10-14-32-66(59)73(67(60)46-52)64-30-12-8-23-57(64)58-24-9-13-31-65(58)73/h1-46H
InChIKeyHBMIRSXZJZNTGY-UHFFFAOYSA-N
XLogP19.39
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.19
LogP ≤ 519.39
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-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391796
1-N,3-N-bis(9-phenylcarbazol-4-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 121361242
9-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-4-amine
CID 166048544
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358469
4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 165155468
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
CID 121358356
3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 176878089
5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 169009579

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine (CID 130309110) is N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine is c1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6cccc7c8ccccc8c8ccccc8c67)cc5)cc4)cccc32)cc1.
What is the InChIKey of N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is HBMIRSXZJZNTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2/c1-2-18-50(19-3-1)75-68-33-15-11-27-63(68)71-53(28-16-35-70(71)75)49-38-36-47(37-39-49)48-40-42-51(43-41-48)74(69-34-17-29-62-56-21-5-4-20-54(56)55-22-6-7-26-61(55)72(62)69)52-44-45-60-59-25-10-14-32-66(59)73(67(60)46-52)64-30-12-8-23-57(64)58-24-9-13-31-65(58)73/h1-46H.
What are the key properties of N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine?
N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 951.19 g/mol, XLogP of 19.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 130309110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).