5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]

C44H25N7 — CID 66805164

IUPAC5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
SMILESc1cnc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-4)c3ccccc3-c3cc4c5ccccc5n(-c5ncncn5)c4cc32)nc1
InChIInChI=1S/C44H25N7/c1-5-14-34-26(10-1)30-20-32-28-12-3-7-16-38(28)50(42-46-18-9-19-47-42)40(32)22-36(30)44(34)35-15-6-2-11-27(35)31-21-33-29-13-4-8-17-39(29)51(41(33)23-37(31)44)43-48-24-45-25-49-43/h1-25H
InChIKeyNMPBRQKIGYYWSM-UHFFFAOYSA-N
MW651.73 g/mol
LogP9.20
Rot. Bonds2

About 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]

5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] (PubChem CID 66805164) has the molecular formula C44H25N7 and a molecular weight of 651.73 g/mol. Its IUPAC name is 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
PubChem CID66805164
Molecular FormulaC44H25N7
Molecular Weight651.73 g/mol
Exact Mass651.22
IUPAC Name5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
SMILESc1cnc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-4)c3ccccc3-c3cc4c5ccccc5n(-c5ncncn5)c4cc32)nc1
InChIInChI=1S/C44H25N7/c1-5-14-34-26(10-1)30-20-32-28-12-3-7-16-38(28)50(42-46-18-9-19-47-42)40(32)22-36(30)44(34)35-15-6-2-11-27(35)31-21-33-29-13-4-8-17-39(29)51(41(33)23-37(31)44)43-48-24-45-25-49-43/h1-25H
InChIKeyNMPBRQKIGYYWSM-UHFFFAOYSA-N
XLogP9.20
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.73
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2'-bis[3-(3,5-diphenylphenyl)phenyl]-5,5'-di(pyrimidin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 88917355
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
12,12-dimethyl-16-(1,3,5-triazin-2-yl)-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 122464208
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
CID 134551673
CID 134551673
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 153465943
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
CID 134551686
CID 134551686
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075

Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?
The IUPAC name of 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] (CID 66805164) is 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole].
What is the SMILES notation for 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?
The canonical SMILES for 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] is c1cnc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-4)c3ccccc3-c3cc4c5ccccc5n(-c5ncncn5)c4cc32)nc1.
What is the InChIKey of 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?
The InChIKey is NMPBRQKIGYYWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N7/c1-5-14-34-26(10-1)30-20-32-28-12-3-7-16-38(28)50(42-46-18-9-19-47-42)40(32)22-36(30)44(34)35-15-6-2-11-27(35)31-21-33-29-13-4-8-17-39(29)51(41(33)23-37(31)44)43-48-24-45-25-49-43/h1-25H.
What are the key properties of 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]?
5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] has a molecular weight of 651.73 g/mol, XLogP of 9.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole] is sourced from PubChem (CID 66805164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).