1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine

C87H58N2 — CID 121361321

IUPAC1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c3)cc2)cc1
InChIInChI=1S/C87H58N2/c1-3-18-59(19-4-1)63-38-46-72(47-39-63)88(74-50-42-65(43-51-74)69-36-34-61-22-7-9-24-67(61)54-69)76-56-71(78-29-17-33-85-86(78)81-28-13-16-32-84(81)87(85)82-30-14-11-26-79(82)80-27-12-15-31-83(80)87)57-77(58-76)89(73-48-40-64(41-49-73)60-20-5-2-6-21-60)75-52-44-66(45-53-75)70-37-35-62-23-8-10-25-68(62)55-70/h1-58H
InChIKeyVJNFYXMTEAMCSK-UHFFFAOYSA-N
MW1131.44 g/mol
LogP23.61
Rot. Bonds11

About 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine

1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine (PubChem CID 121361321) has the molecular formula C87H58N2 and a molecular weight of 1131.44 g/mol. Its IUPAC name is 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
PubChem CID121361321
Molecular FormulaC87H58N2
Molecular Weight1131.44 g/mol
Exact Mass1130.46
IUPAC Name1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c3)cc2)cc1
InChIInChI=1S/C87H58N2/c1-3-18-59(19-4-1)63-38-46-72(47-39-63)88(74-50-42-65(43-51-74)69-36-34-61-22-7-9-24-67(61)54-69)76-56-71(78-29-17-33-85-86(78)81-28-13-16-32-84(81)87(85)82-30-14-11-26-79(82)80-27-12-15-31-83(80)87)57-77(58-76)89(73-48-40-64(41-49-73)60-20-5-2-6-21-60)75-52-44-66(45-53-75)70-37-35-62-23-8-10-25-68(62)55-70/h1-58H
InChIKeyVJNFYXMTEAMCSK-UHFFFAOYSA-N
XLogP23.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.44
LogP ≤ 523.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169020066
CID 118153657
CID 118153657
N,N-bis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]-3'-amine;spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]
CID 158405028
N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
CID 129259026
4'-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258808
N-[6-[4-[3-[4-(N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139394427
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325440
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine (CID 121361321) is 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c3)cc2)cc1.
What is the InChIKey of 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine?
The InChIKey is VJNFYXMTEAMCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H58N2/c1-3-18-59(19-4-1)63-38-46-72(47-39-63)88(74-50-42-65(43-51-74)69-36-34-61-22-7-9-24-67(61)54-69)76-56-71(78-29-17-33-85-86(78)81-28-13-16-32-84(81)87(85)82-30-14-11-26-79(82)80-27-12-15-31-83(80)87)57-77(58-76)89(73-48-40-64(41-49-73)60-20-5-2-6-21-60)75-52-44-66(45-53-75)70-37-35-62-23-8-10-25-68(62)55-70/h1-58H.
What are the key properties of 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine?
1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine has a molecular weight of 1131.44 g/mol, XLogP of 23.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine is sourced from PubChem (CID 121361321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).