N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline

C70H53N — CID 155399537

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
SMILESc1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C70H53N/c1-2-10-53-42-54(22-21-47(53)9-1)51-25-32-60(33-26-51)71(61-34-27-52(28-35-61)67-43-56-11-3-4-12-62(56)63-13-5-6-14-64(63)67)59-30-23-49(24-31-59)48-17-19-50(20-18-48)55-29-36-66-65-15-7-8-16-68(65)70(69(66)44-55)57-38-45-37-46(40-57)41-58(70)39-45/h1-36,42-46,57-58H,37-41H2
InChIKeySNFKUVRHNZABLP-UHFFFAOYSA-N
MW908.20 g/mol
LogP19.01
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline (PubChem CID 155399537) has the molecular formula C70H53N and a molecular weight of 908.20 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
PubChem CID155399537
Molecular FormulaC70H53N
Molecular Weight908.20 g/mol
Exact Mass907.42
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
SMILESc1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C70H53N/c1-2-10-53-42-54(22-21-47(53)9-1)51-25-32-60(33-26-51)71(61-34-27-52(28-35-61)67-43-56-11-3-4-12-62(56)63-13-5-6-14-64(63)67)59-30-23-49(24-31-59)48-17-19-50(20-18-48)55-29-36-66-65-15-7-8-16-68(65)70(69(66)44-55)57-38-45-37-46(40-57)41-58(70)39-45/h1-36,42-46,57-58H,37-41H2
InChIKeySNFKUVRHNZABLP-UHFFFAOYSA-N
XLogP19.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.20
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-phenanthren-9-yl-N-(4-phenylphenyl)-7'-[7-(4-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylanilino)phenanthren-2-yl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156568027
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393870
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
CID 156567366
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 155399634
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567394
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-[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-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399590
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393695
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline (CID 155399537) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline is c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4)cc3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline?
The InChIKey is SNFKUVRHNZABLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H53N/c1-2-10-53-42-54(22-21-47(53)9-1)51-25-32-60(33-26-51)71(61-34-27-52(28-35-61)67-43-56-11-3-4-12-62(56)63-13-5-6-14-64(63)67)59-30-23-49(24-31-59)48-17-19-50(20-18-48)55-29-36-66-65-15-7-8-16-68(65)70(69(66)44-55)57-38-45-37-46(40-57)41-58(70)39-45/h1-36,42-46,57-58H,37-41H2.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline has a molecular weight of 908.20 g/mol, XLogP of 19.01, 7 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-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline is sourced from PubChem (CID 155399537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).