N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine

C61H50N2 — CID 170085971

IUPACN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C61H50N2/c1-60(2)54-19-11-9-17-48(54)52-35-45(23-27-55(52)60)62(47-22-25-50-49-18-10-12-20-58(49)63(59(50)37-47)44-15-7-4-8-16-44)46-24-28-57-53(36-46)51-34-41(40-13-5-3-6-14-40)21-26-56(51)61(57)42-30-38-29-39(32-42)33-43(61)31-38/h3-28,34-39,42-43H,29-33H2,1-2H3
InChIKeyLRYPYTIOTURTNL-UHFFFAOYSA-N
MW811.08 g/mol
LogP15.95
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine

N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine (PubChem CID 170085971) has the molecular formula C61H50N2 and a molecular weight of 811.08 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
PubChem CID170085971
Molecular FormulaC61H50N2
Molecular Weight811.08 g/mol
Exact Mass810.40
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C61H50N2/c1-60(2)54-19-11-9-17-48(54)52-35-45(23-27-55(52)60)62(47-22-25-50-49-18-10-12-20-58(49)63(59(50)37-47)44-15-7-4-8-16-44)46-24-28-57-53(36-46)51-34-41(40-13-5-3-6-14-40)21-26-56(51)61(57)42-30-38-29-39(32-42)33-43(61)31-38/h3-28,34-39,42-43H,29-33H2,1-2H3
InChIKeyLRYPYTIOTURTNL-UHFFFAOYSA-N
XLogP15.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.08
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-(2,4-diphenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 163855626
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine
CID 168723056
9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568063
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine (CID 170085971) is N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine?
The InChIKey is LRYPYTIOTURTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-60(2)54-19-11-9-17-48(54)52-35-45(23-27-55(52)60)62(47-22-25-50-49-18-10-12-20-58(49)63(59(50)37-47)44-15-7-4-8-16-44)46-24-28-57-53(36-46)51-34-41(40-13-5-3-6-14-40)21-26-56(51)61(57)42-30-38-29-39(32-42)33-43(61)31-38/h3-28,34-39,42-43H,29-33H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine?
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine has a molecular weight of 811.08 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine is sourced from PubChem (CID 170085971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).