9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine

C39H31N — CID 89086180

IUPAC9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine
SMILESCC1(C)c2ccccc2N(c2cc3cc(-c4ccccc4)c4c(c3c3ccccc23)C=CCC4)c2ccccc21
InChIInChI=1S/C39H31N/c1-39(2)33-20-10-12-22-35(33)40(36-23-13-11-21-34(36)39)37-25-27-24-32(26-14-4-3-5-15-26)28-16-6-8-18-30(28)38(27)31-19-9-7-17-29(31)37/h3-5,7-15,17-25H,6,16H2,1-2H3
InChIKeyKPIVMFRGEVXAMI-UHFFFAOYSA-N
MW513.68 g/mol
LogP10.73
Rot. Bonds2

About 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine

9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine (PubChem CID 89086180) has the molecular formula C39H31N and a molecular weight of 513.68 g/mol. Its IUPAC name is 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine
PubChem CID89086180
Molecular FormulaC39H31N
Molecular Weight513.68 g/mol
Exact Mass513.25
IUPAC Name9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine
SMILESCC1(C)c2ccccc2N(c2cc3cc(-c4ccccc4)c4c(c3c3ccccc23)C=CCC4)c2ccccc21
InChIInChI=1S/C39H31N/c1-39(2)33-20-10-12-22-35(33)40(36-23-13-11-21-34(36)39)37-25-27-24-32(26-14-4-3-5-15-26)28-16-6-8-18-30(28)38(27)31-19-9-7-17-29(31)37/h3-5,7-15,17-25H,6,16H2,1-2H3
InChIKeyKPIVMFRGEVXAMI-UHFFFAOYSA-N
XLogP10.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 510.73
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

9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine
CID 89086171
13,13-dimethyl-5-(2-phenyl-5,6-dihydronaphthalen-1-yl)-10-(2-phenylnaphthalen-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70886330
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
CID 129290633
10-[20-(9,9-dimethylacridin-10-yl)-12,12-dimethyl-12-silapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-9,9-dimethylacridine
CID 145010399
21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene
CID 167515742
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
CID 89070905
10,10,14,14-tetramethyl-21-[5-(10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-yl)naphthalen-1-yl]-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459631
8,8,14,14-tetramethyl-5-(10-phenylanthracen-9-yl)-17-(10-phenyl-1,2-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 89065329
8,8,14,14-tetramethyl-5-phenyl-17-(10-phenyl-3,4-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70886167
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
N-(4-tert-butylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70886023
11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine
CID 89065373

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine?
The IUPAC name of 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine (CID 89086180) is 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine?
The canonical SMILES for 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine is CC1(C)c2ccccc2N(c2cc3cc(-c4ccccc4)c4c(c3c3ccccc23)C=CCC4)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine?
The InChIKey is KPIVMFRGEVXAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N/c1-39(2)33-20-10-12-22-35(33)40(36-23-13-11-21-34(36)39)37-25-27-24-32(26-14-4-3-5-15-26)28-16-6-8-18-30(28)38(27)31-19-9-7-17-29(31)37/h3-5,7-15,17-25H,6,16H2,1-2H3.
What are the key properties of 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine?
9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine has a molecular weight of 513.68 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(8-phenyl-9,10-dihydrobenzo[c]phenanthren-5-yl)acridine is sourced from PubChem (CID 89086180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).