N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

C50H43N — CID 163641907

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESC1=CC(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)CC=C1c1ccccc1
InChIInChI=1S/C50H43N/c1-2-8-35(9-3-1)37-16-20-43(21-17-37)51(44-22-18-38(19-23-44)40-15-14-36-10-4-5-11-39(36)31-40)45-24-25-47-46-12-6-7-13-48(46)50(49(47)32-45)41-27-33-26-34(29-41)30-42(50)28-33/h1-20,22-25,31-34,41-43H,21,26-30H2
InChIKeyIEYPJVRYLRWNNL-UHFFFAOYSA-N
MW657.90 g/mol
LogP12.78
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 163641907) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID163641907
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
SMILESC1=CC(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)CC=C1c1ccccc1
InChIInChI=1S/C50H43N/c1-2-8-35(9-3-1)37-16-20-43(21-17-37)51(44-22-18-38(19-23-44)40-15-14-36-10-4-5-11-39(36)31-40)45-24-25-47-46-12-6-7-13-48(46)50(49(47)32-45)41-27-33-26-34(29-41)30-42(50)28-33/h1-20,22-25,31-34,41-43H,21,26-30H2
InChIKeyIEYPJVRYLRWNNL-UHFFFAOYSA-N
XLogP12.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-diphenylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393830
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
methane;2'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[adamantane-2,9'-fluorene];2'-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[adamantane-2,9'-fluorene]
CID 164976528
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594795
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 155399537
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 129301169
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 170117277
N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582742

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 163641907) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is C1=CC(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)CC=C1c1ccccc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is IEYPJVRYLRWNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N/c1-2-8-35(9-3-1)37-16-20-43(21-17-37)51(44-22-18-38(19-23-44)40-15-14-36-10-4-5-11-39(36)31-40)45-24-25-47-46-12-6-7-13-48(46)50(49(47)32-45)41-27-33-26-34(29-41)30-42(50)28-33/h1-20,22-25,31-34,41-43H,21,26-30H2.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 657.90 g/mol, XLogP of 12.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 163641907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).