4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine

C61H40N2 — CID 165155468

IUPAC4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc(-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C61H40N2/c1-4-18-41(19-5-1)42-32-34-45(35-33-42)62(47-38-53(43-20-6-2-7-21-43)60-52-27-13-17-31-58(52)63(59(60)40-47)44-22-8-3-9-23-44)46-36-37-51-50-26-12-16-30-56(50)61(57(51)39-46)54-28-14-10-24-48(54)49-25-11-15-29-55(49)61/h1-40H
InChIKeyCISCFGIWXZALOW-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.93
Rot. Bonds6

About 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine

4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine (PubChem CID 165155468) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine.

Molecular Properties

Compound Name4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
PubChem CID165155468
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc(-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C61H40N2/c1-4-18-41(19-5-1)42-32-34-45(35-33-42)62(47-38-53(43-20-6-2-7-21-43)60-52-27-13-17-31-58(52)63(59(60)40-47)44-22-8-3-9-23-44)46-36-37-51-50-26-12-16-30-56(50)61(57(51)39-46)54-28-14-10-24-48(54)49-25-11-15-29-55(49)61/h1-40H
InChIKeyCISCFGIWXZALOW-UHFFFAOYSA-N
XLogP15.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-4-naphthalen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 165155471
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
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-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309110
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
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
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 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine?
The IUPAC name of 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine (CID 165155468) is 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine.
What is the SMILES notation for 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine?
The canonical SMILES for 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc(-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine?
The InChIKey is CISCFGIWXZALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-4-18-41(19-5-1)42-32-34-45(35-33-42)62(47-38-53(43-20-6-2-7-21-43)60-52-27-13-17-31-58(52)63(59(60)40-47)44-22-8-3-9-23-44)46-36-37-51-50-26-12-16-30-56(50)61(57(51)39-46)54-28-14-10-24-48(54)49-25-11-15-29-55(49)61/h1-40H.
What are the key properties of 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine?
4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine has a molecular weight of 801.01 g/mol, XLogP of 15.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine is sourced from PubChem (CID 165155468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).