N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine

C58H54N2 — CID 168810569

IUPACN-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5cccc6c5C5(CCCCC5)c5ccccc5-6)cc4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C58H54N2/c1-5-16-47(17-6-1)59(48-18-7-2-8-19-48)50-30-26-43(27-31-50)58(45-37-41-36-42(39-45)40-46(58)38-41)44-28-32-51(33-29-44)60(49-20-9-3-10-21-49)55-25-15-23-53-52-22-11-12-24-54(52)57(56(53)55)34-13-4-14-35-57/h1-3,5-12,15-33,41-42,45-46H,4,13-14,34-40H2
InChIKeyMOJDADZESMXECO-UHFFFAOYSA-N
MW779.08 g/mol
LogP15.60
Rot. Bonds8

About N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine

N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine (PubChem CID 168810569) has the molecular formula C58H54N2 and a molecular weight of 779.08 g/mol. Its IUPAC name is N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine
PubChem CID168810569
Molecular FormulaC58H54N2
Molecular Weight779.08 g/mol
Exact Mass778.43
IUPAC NameN-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5cccc6c5C5(CCCCC5)c5ccccc5-6)cc4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C58H54N2/c1-5-16-47(17-6-1)59(48-18-7-2-8-19-48)50-30-26-43(27-31-50)58(45-37-41-36-42(39-45)40-46(58)38-41)44-28-32-51(33-29-44)60(49-20-9-3-10-21-49)55-25-15-23-53-52-22-11-12-24-54(52)57(56(53)55)34-13-4-14-35-57/h1-3,5-12,15-33,41-42,45-46H,4,13-14,34-40H2
InChIKeyMOJDADZESMXECO-UHFFFAOYSA-N
XLogP15.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.08
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-9-methyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-1-amine
CID 168810459
N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-1'-amine
CID 168810448
N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722611
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722415
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722293
N-(9,9-dimethylfluoren-3-yl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722678
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168723014
N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567982
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722800
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine?
The IUPAC name of N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine (CID 168810569) is N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine.
What is the SMILES notation for N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine?
The canonical SMILES for N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine is c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5cccc6c5C5(CCCCC5)c5ccccc5-6)cc4)C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine?
The InChIKey is MOJDADZESMXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2/c1-5-16-47(17-6-1)59(48-18-7-2-8-19-48)50-30-26-43(27-31-50)58(45-37-41-36-42(39-45)40-46(58)38-41)44-28-32-51(33-29-44)60(49-20-9-3-10-21-49)55-25-15-23-53-52-22-11-12-24-54(52)57(56(53)55)34-13-4-14-35-57/h1-3,5-12,15-33,41-42,45-46H,4,13-14,34-40H2.
What are the key properties of N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine?
N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine has a molecular weight of 779.08 g/mol, XLogP of 15.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-1'-amine is sourced from PubChem (CID 168810569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).