N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine

C66H49N — CID 145346003

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC8CC(C5)C86C7)cc4)cc3)c3ccc4c(c3)C3(C5=C(C=C=C=C5)c5ccccc53)c3cccc5cccc-4c35)cc21
InChIInChI=1S/C66H49N/c1-63(2)56-17-6-3-13-50(56)53-31-29-48(35-60(53)63)67(47-27-23-42(24-28-47)41-21-25-44(26-22-41)64-37-40-33-45-34-46(39-64)65(45,64)38-40)49-30-32-54-55-16-9-11-43-12-10-20-59(62(43)55)66(61(54)36-49)57-18-7-4-14-51(57)52-15-5-8-19-58(52)66/h3-4,6-7,9-32,35-36,40,45-46H,33-34,37-39H2,1-2H3
InChIKeyPCPXGPDVWYWMAP-UHFFFAOYSA-N
MW856.13 g/mol
LogP16.32
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine (PubChem CID 145346003) has the molecular formula C66H49N and a molecular weight of 856.13 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
PubChem CID145346003
Molecular FormulaC66H49N
Molecular Weight856.13 g/mol
Exact Mass855.39
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC8CC(C5)C86C7)cc4)cc3)c3ccc4c(c3)C3(C5=C(C=C=C=C5)c5ccccc53)c3cccc5cccc-4c35)cc21
InChIInChI=1S/C66H49N/c1-63(2)56-17-6-3-13-50(56)53-31-29-48(35-60(53)63)67(47-27-23-42(24-28-47)41-21-25-44(26-22-41)64-37-40-33-45-34-46(39-64)65(45,64)38-40)49-30-32-54-55-16-9-11-43-12-10-20-59(62(43)55)66(61(54)36-49)57-18-7-4-14-51(57)52-15-5-8-19-58(52)66/h3-4,6-7,9-32,35-36,40,45-46H,33-34,37-39H2,1-2H3
InChIKeyPCPXGPDVWYWMAP-UHFFFAOYSA-N
XLogP16.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.13
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-phenyl-4-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]phenyl]fluoren-2-amine
CID 145345956
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794740
3-[4-[[4-(1-adamantyl)phenyl]-(9,9-dimethylfluoren-2-yl)methyl]phenyl]-9-phenylcarbazole;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[a]phenalene-7,9'-fluorene]-3-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 160510623
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine (CID 145346003) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC8CC(C5)C86C7)cc4)cc3)c3ccc4c(c3)C3(C5=C(C=C=C=C5)c5ccccc53)c3cccc5cccc-4c35)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine?
The InChIKey is PCPXGPDVWYWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N/c1-63(2)56-17-6-3-13-50(56)53-31-29-48(35-60(53)63)67(47-27-23-42(24-28-47)41-21-25-44(26-22-41)64-37-40-33-45-34-46(39-64)65(45,64)38-40)49-30-32-54-55-16-9-11-43-12-10-20-59(62(43)55)66(61(54)36-49)57-18-7-4-14-51(57)52-15-5-8-19-58(52)66/h3-4,6-7,9-32,35-36,40,45-46H,33-34,37-39H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine has a molecular weight of 856.13 g/mol, XLogP of 16.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-amine is sourced from PubChem (CID 145346003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).