N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C67H44N2 — CID 168788782

IUPACN-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C67H44N2/c1-3-21-45(22-4-1)50-27-7-8-33-58(50)66-51(46-23-5-2-6-24-46)34-20-40-65(66)68(47-25-19-26-48(43-47)69-63-38-17-12-31-56(63)57-32-13-18-39-64(57)69)49-41-42-55-54-30-11-16-37-61(54)67(62(55)44-49)59-35-14-9-28-52(59)53-29-10-15-36-60(53)67/h1-44H
InChIKeyJMLYXBOFLQTFKD-UHFFFAOYSA-N
MW877.10 g/mol
LogP17.60
Rot. Bonds7

About N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168788782) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID168788782
Molecular FormulaC67H44N2
Molecular Weight877.10 g/mol
Exact Mass876.35
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C67H44N2/c1-3-21-45(22-4-1)50-27-7-8-33-58(50)66-51(46-23-5-2-6-24-46)34-20-40-65(66)68(47-25-19-26-48(43-47)69-63-38-17-12-31-56(63)57-32-13-18-39-64(57)69)49-41-42-55-54-30-11-16-37-61(54)67(62(55)44-49)59-35-14-9-28-52(59)53-29-10-15-36-60(53)67/h1-44H
InChIKeyJMLYXBOFLQTFKD-UHFFFAOYSA-N
XLogP17.60
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790311
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789606
N-[2-(3-carbazol-9-ylphenyl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167293215
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788327
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
CID 145464353
9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170111185
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790440

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 168788782) is N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is JMLYXBOFLQTFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-3-21-45(22-4-1)50-27-7-8-33-58(50)66-51(46-23-5-2-6-24-46)34-20-40-65(66)68(47-25-19-26-48(43-47)69-63-38-17-12-31-56(63)57-32-13-18-39-64(57)69)49-41-42-55-54-30-11-16-37-61(54)67(62(55)44-49)59-35-14-9-28-52(59)53-29-10-15-36-60(53)67/h1-44H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 877.10 g/mol, XLogP of 17.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168788782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).