N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline

C60H39N3 — CID 90216048

IUPACN-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline
SMILESc1ccc(N(c2ccc(-c3cccnc3)cc2)c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4c3)c2)cc1
InChIInChI=1S/C60H39N3/c1-2-16-44(17-3-1)62(45-30-27-40(28-31-45)43-15-13-35-61-39-43)46-18-12-14-41(36-46)42-29-33-53-52-22-7-11-26-58(52)63(59(53)37-42)47-32-34-51-50-21-6-10-25-56(50)60(57(51)38-47)54-23-8-4-19-48(54)49-20-5-9-24-55(49)60/h1-39H
InChIKeyLLQAMAJZVKIOJJ-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.33
Rot. Bonds6

About N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline

N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline (PubChem CID 90216048) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline.

Molecular Properties

Compound NameN-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline
PubChem CID90216048
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC NameN-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline
SMILESc1ccc(N(c2ccc(-c3cccnc3)cc2)c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4c3)c2)cc1
InChIInChI=1S/C60H39N3/c1-2-16-44(17-3-1)62(45-30-27-40(28-31-45)43-15-13-35-61-39-43)46-18-12-14-41(36-46)42-29-33-53-52-22-7-11-26-58(52)63(59(53)37-42)47-32-34-51-50-21-6-10-25-56(50)60(57(51)38-47)54-23-8-4-19-48(54)49-20-5-9-24-55(49)60/h1-39H
InChIKeyLLQAMAJZVKIOJJ-UHFFFAOYSA-N
XLogP15.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N-phenyl-N-(4-pyridin-3-ylphenyl)-4-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]aniline
CID 158025945
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
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
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 158303930
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160921499
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160980279

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline?
The IUPAC name of N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline (CID 90216048) is N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline.
What is the SMILES notation for N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline?
The canonical SMILES for N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline is c1ccc(N(c2ccc(-c3cccnc3)cc2)c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4c3)c2)cc1.
What is the InChIKey of N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline?
The InChIKey is LLQAMAJZVKIOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-2-16-44(17-3-1)62(45-30-27-40(28-31-45)43-15-13-35-61-39-43)46-18-12-14-41(36-46)42-29-33-53-52-22-7-11-26-58(52)63(59(53)37-42)47-32-34-51-50-21-6-10-25-56(50)60(57(51)38-47)54-23-8-4-19-48(54)49-20-5-9-24-55(49)60/h1-39H.
What are the key properties of N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline?
N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline has a molecular weight of 801.99 g/mol, XLogP of 15.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-pyridin-3-ylphenyl)-3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-yl]aniline is sourced from PubChem (CID 90216048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).