5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole

C48H33N6- — CID 145190296

IUPAC5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(C2[N-]C(c3ccnc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)=NC(c3cccc4ccccc34)N2)cc1
InChIInChI=1S/C48H33N6/c1-3-15-32(16-4-1)46-50-47(52-48(51-46)38-23-13-17-31-14-7-8-20-35(31)38)33-26-27-49-45(28-33)54-42-25-12-10-22-37(42)40-29-39-36-21-9-11-24-41(36)53(43(39)30-44(40)54)34-18-5-2-6-19-34/h1-30,46,48,51H/q-1
InChIKeyRFEDGWDPESSBKO-UHFFFAOYSA-N
MW693.83 g/mol
LogP11.55
Rot. Bonds5

About 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole

5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 145190296) has the molecular formula C48H33N6- and a molecular weight of 693.83 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID145190296
Molecular FormulaC48H33N6-
Molecular Weight693.83 g/mol
Exact Mass693.28
IUPAC Name5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(C2[N-]C(c3ccnc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)=NC(c3cccc4ccccc34)N2)cc1
InChIInChI=1S/C48H33N6/c1-3-15-32(16-4-1)46-50-47(52-48(51-46)38-23-13-17-31-14-7-8-20-35(31)38)33-26-27-49-45(28-33)54-42-25-12-10-22-37(42)40-29-39-36-21-9-11-24-41(36)53(43(39)30-44(40)54)34-18-5-2-6-19-34/h1-30,46,48,51H/q-1
InChIKeyRFEDGWDPESSBKO-UHFFFAOYSA-N
XLogP11.55
TPSA61.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.83
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile
CID 145085579
26-[4-[3-(4-phenylphenyl)phenyl]-2-pyridinyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432708
5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 144943204
5-[6-(2-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 163596227
7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 163454570
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
CID 58500998
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole
CID 163618341
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole (CID 145190296) is 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole is c1ccc(C2[N-]C(c3ccnc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)=NC(c3cccc4ccccc34)N2)cc1.
What is the InChIKey of 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is RFEDGWDPESSBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N6/c1-3-15-32(16-4-1)46-50-47(52-48(51-46)38-23-13-17-31-14-7-8-20-35(31)38)33-26-27-49-45(28-33)54-42-25-12-10-22-37(42)40-29-39-36-21-9-11-24-41(36)53(43(39)30-44(40)54)34-18-5-2-6-19-34/h1-30,46,48,51H/q-1.
What are the key properties of 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 693.83 g/mol, XLogP of 11.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 145190296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).