10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine

C47H33N5O — CID 140955322

IUPAC10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine
SMILESCC1(C)c2ccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C47H33N5O/c1-47(2)38-23-20-32(53-31-19-21-33-34-14-6-8-16-40(34)50-27-26-49-46(50)37(33)28-31)29-42(38)52(43-18-10-11-25-48-43)45-39(47)24-22-36-35-15-7-9-17-41(35)51(44(36)45)30-12-4-3-5-13-30/h3-29H,1-2H3
InChIKeyZWNDUGKHFHRPAO-UHFFFAOYSA-N
MW683.82 g/mol
LogP12.03
Rot. Bonds4

About 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine

10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine (PubChem CID 140955322) has the molecular formula C47H33N5O and a molecular weight of 683.82 g/mol. Its IUPAC name is 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine.

Molecular Properties

Compound Name10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine
PubChem CID140955322
Molecular FormulaC47H33N5O
Molecular Weight683.82 g/mol
Exact Mass683.27
IUPAC Name10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine
SMILESCC1(C)c2ccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C47H33N5O/c1-47(2)38-23-20-32(53-31-19-21-33-34-14-6-8-16-40(34)50-27-26-49-46(50)37(33)28-31)29-42(38)52(43-18-10-11-25-48-43)45-39(47)24-22-36-35-15-7-9-17-41(35)51(44(36)45)30-12-4-3-5-13-30/h3-29H,1-2H3
InChIKeyZWNDUGKHFHRPAO-UHFFFAOYSA-N
XLogP12.03
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.82
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole
CID 140951586
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214
10-imidazo[1,2-f]phenanthridin-11-yloxy-5,5,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazole
CID 140955384
8,8-dimethyl-14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616602
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948681
(5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140954374
3-imidazo[1,2-f]phenanthridin-11-yloxy-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
CID 140954308
(5,5-dimethyl-13-pyridin-2-yl-[1]benzofuro[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140954445
9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene
CID 162487091
5,7-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611490
8,8,14-trimethyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616528
8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611360

Frequently Asked Questions

What is the IUPAC name of 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine?
The IUPAC name of 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine (CID 140955322) is 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine.
What is the SMILES notation for 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine?
The canonical SMILES for 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine is CC1(C)c2ccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21.
What is the InChIKey of 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine?
The InChIKey is ZWNDUGKHFHRPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5O/c1-47(2)38-23-20-32(53-31-19-21-33-34-14-6-8-16-40(34)50-27-26-49-46(50)37(33)28-31)29-42(38)52(43-18-10-11-25-48-43)45-39(47)24-22-36-35-15-7-9-17-41(35)51(44(36)45)30-12-4-3-5-13-30/h3-29H,1-2H3.
What are the key properties of 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine?
10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine has a molecular weight of 683.82 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imidazo[1,2-f]phenanthridin-11-yloxy-7,7-dimethyl-13-phenyl-12-pyridin-2-ylindolo[3,2-c]acridine is sourced from PubChem (CID 140955322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).