N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine

C44H37N — CID 145303048

IUPACN-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine
SMILESCN(c1ccc2c(c1)C(C)(C)C1=CC=CC3CC123)c1ccc2c(c1)C1(CC3=C(C=CC=CC3)c3ccccc31)c1ccccc1-2
InChIInChI=1S/C44H37N/c1-42(2)40-25-31(21-23-38(40)43-27-29(43)13-11-19-41(42)43)45(3)30-20-22-35-34-16-8-10-18-37(34)44(39(35)24-30)26-28-12-5-4-6-14-32(28)33-15-7-9-17-36(33)44/h4-11,13-25,29H,12,26-27H2,1-3H3
InChIKeyDNLZJRMVYFCAQJ-UHFFFAOYSA-N
MW579.79 g/mol
LogP10.49
Rot. Bonds2

About N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine

N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine (PubChem CID 145303048) has the molecular formula C44H37N and a molecular weight of 579.79 g/mol. Its IUPAC name is N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine
PubChem CID145303048
Molecular FormulaC44H37N
Molecular Weight579.79 g/mol
Exact Mass579.29
IUPAC NameN-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine
SMILESCN(c1ccc2c(c1)C(C)(C)C1=CC=CC3CC123)c1ccc2c(c1)C1(CC3=C(C=CC=CC3)c3ccccc31)c1ccccc1-2
InChIInChI=1S/C44H37N/c1-42(2)40-25-31(21-23-38(40)43-27-29(43)13-11-19-41(42)43)45(3)30-20-22-35-34-16-8-10-18-37(34)44(39(35)24-30)26-28-12-5-4-6-14-32(28)33-15-7-9-17-36(33)44/h4-11,13-25,29H,12,26-27H2,1-3H3
InChIKeyDNLZJRMVYFCAQJ-UHFFFAOYSA-N
XLogP10.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.79
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[9H-benzo[a]azulene-10,9'-fluorene]-2'-amine
CID 166956969
N,9,9-trimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166028533
N,9,9-trimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 166028580
N-(4-ethenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 23530073
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480618
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-10,10-diphenyl-9H-benzo[a]azulen-3-amine
CID 126548449
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
CID 58903663
N,9,9-trimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 70891282
N,9,9-trimethyl-N-(4-pyrimidin-2-ylphenyl)fluoren-2-amine
CID 144573905
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane
CID 143983290
N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine
CID 145396711
N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 145303021

Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine?
The IUPAC name of N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine (CID 145303048) is N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine?
The canonical SMILES for N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine is CN(c1ccc2c(c1)C(C)(C)C1=CC=CC3CC123)c1ccc2c(c1)C1(CC3=C(C=CC=CC3)c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine?
The InChIKey is DNLZJRMVYFCAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N/c1-42(2)40-25-31(21-23-38(40)43-27-29(43)13-11-19-41(42)43)45(3)30-20-22-35-34-16-8-10-18-37(34)44(39(35)24-30)26-28-12-5-4-6-14-32(28)33-15-7-9-17-36(33)44/h4-11,13-25,29H,12,26-27H2,1-3H3.
What are the key properties of N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine?
N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine has a molecular weight of 579.79 g/mol, XLogP of 10.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine is sourced from PubChem (CID 145303048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).