N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C72H47N3 — CID 126628034

IUPACN-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccn4)cc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C72H47N3/c1-3-19-48(20-4-1)49-34-37-54(38-35-49)74(55-39-41-62-61-27-11-15-31-67(61)72(68(62)47-55)65-29-13-9-25-59(65)60-26-10-14-30-66(60)72)56-44-51(43-52(45-56)69-32-17-18-42-73-69)58-24-8-7-23-57(58)50-36-40-64-63-28-12-16-33-70(63)75(71(64)46-50)53-21-5-2-6-22-53/h1-47H
InChIKeyRUZAAGFJULRZOQ-UHFFFAOYSA-N
MW954.19 g/mol
LogP18.66
Rot. Bonds8

About N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 126628034) has the molecular formula C72H47N3 and a molecular weight of 954.19 g/mol. Its IUPAC name is N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID126628034
Molecular FormulaC72H47N3
Molecular Weight954.19 g/mol
Exact Mass953.38
IUPAC NameN-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccn4)cc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C72H47N3/c1-3-19-48(20-4-1)49-34-37-54(38-35-49)74(55-39-41-62-61-27-11-15-31-67(61)72(68(62)47-55)65-29-13-9-25-59(65)60-26-10-14-30-66(60)72)56-44-51(43-52(45-56)69-32-17-18-42-73-69)58-24-8-7-23-57(58)50-36-40-64-63-28-12-16-33-70(63)75(71(64)46-50)53-21-5-2-6-22-53/h1-47H
InChIKeyRUZAAGFJULRZOQ-UHFFFAOYSA-N
XLogP18.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.19
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
4-[(9-phenylcarbazol-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]benzonitrile;9-phenyl-N-(4-pyridin-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine;9-phenyl-N-(4-pyridin-3-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 157069368
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
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'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
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
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 126628034) is N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3cc(-c4ccccn4)cc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RUZAAGFJULRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N3/c1-3-19-48(20-4-1)49-34-37-54(38-35-49)74(55-39-41-62-61-27-11-15-31-67(61)72(68(62)47-55)65-29-13-9-25-59(65)60-26-10-14-30-66(60)72)56-44-51(43-52(45-56)69-32-17-18-42-73-69)58-24-8-7-23-57(58)50-36-40-64-63-28-12-16-33-70(63)75(71(64)46-50)53-21-5-2-6-22-53/h1-47H.
What are the key properties of N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 954.19 g/mol, XLogP of 18.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(9-phenylcarbazol-2-yl)phenyl]-5-pyridin-2-ylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 126628034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).