N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C75H48N2 — CID 168798334

IUPACN-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6cc(-c7ccccc7-n7c8ccccc8c8ccccc87)ccc6c5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c23)cc1
InChIInChI=1S/C75H48N2/c1-2-19-49(20-3-1)58-29-16-21-51-22-17-30-59(73(51)58)50-41-44-55(45-42-50)76(72-38-18-31-65-62-26-6-12-34-68(62)75(74(65)72)66-32-10-4-24-60(66)61-25-5-11-33-67(61)75)56-46-43-52-47-54(40-39-53(52)48-56)57-23-7-13-35-69(57)77-70-36-14-8-27-63(70)64-28-9-15-37-71(64)77/h1-48H
InChIKeySEANUTNWDQXDKL-UHFFFAOYSA-N
MW977.22 g/mol
LogP19.90
Rot. Bonds7

About N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine

N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 168798334) has the molecular formula C75H48N2 and a molecular weight of 977.22 g/mol. Its IUPAC name is N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
PubChem CID168798334
Molecular FormulaC75H48N2
Molecular Weight977.22 g/mol
Exact Mass976.38
IUPAC NameN-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6cc(-c7ccccc7-n7c8ccccc8c8ccccc87)ccc6c5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c23)cc1
InChIInChI=1S/C75H48N2/c1-2-19-49(20-3-1)58-29-16-21-51-22-17-30-59(73(51)58)50-41-44-55(45-42-50)76(72-38-18-31-65-62-26-6-12-34-68(62)75(74(65)72)66-32-10-4-24-60(66)61-25-5-11-33-67(61)75)56-46-43-52-47-54(40-39-53(52)48-56)57-23-7-13-35-69(57)77-70-36-14-8-27-63(70)64-28-9-15-37-71(64)77/h1-48H
InChIKeySEANUTNWDQXDKL-UHFFFAOYSA-N
XLogP19.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.22
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-carbazol-9-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168798301
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 174277156
1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838184
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-amine
CID 135293653
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 167322687
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358664

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 168798334) is N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6cc(-c7ccccc7-n7c8ccccc8c8ccccc87)ccc6c5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c23)cc1.
What is the InChIKey of N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is SEANUTNWDQXDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N2/c1-2-19-49(20-3-1)58-29-16-21-51-22-17-30-59(73(51)58)50-41-44-55(45-42-50)76(72-38-18-31-65-62-26-6-12-34-68(62)75(74(65)72)66-32-10-4-24-60(66)61-25-5-11-33-67(61)75)56-46-43-52-47-54(40-39-53(52)48-56)57-23-7-13-35-69(57)77-70-36-14-8-27-63(70)64-28-9-15-37-71(64)77/h1-48H.
What are the key properties of N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 977.22 g/mol, XLogP of 19.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 168798334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).