(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane

C44H30N4Sn — CID 175455906

IUPAC(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane
SMILES[SnH]C1=Cc2cc3ccc(cc4nc(cc5c(-c6ccccc6)c(-c6ccccc6)c(c(-c6ccccc6)c1n2)n5-c1ccccc1)C=C4)[nH]3
InChIInChI=1S/C44H29N4.Sn.H/c1-5-13-30(14-6-1)41-39-26-25-36(47-39)28-35-22-21-33(45-35)27-34-23-24-37(46-34)29-40-42(31-15-7-2-8-16-31)43(32-17-9-3-10-18-32)44(41)48(40)38-19-11-4-12-20-38;;/h1-25,27-29,45H;;/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;
InChIKeyDFAGSIJPNZADJZ-MUGWHKBPSA-N
MW733.46 g/mol
LogP10.35
Rot. Bonds4

About (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane

(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane (PubChem CID 175455906) has the molecular formula C44H30N4Sn and a molecular weight of 733.46 g/mol. Its IUPAC name is (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane.

Molecular Properties

Compound Name(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane
PubChem CID175455906
Molecular FormulaC44H30N4Sn
Molecular Weight733.46 g/mol
Exact Mass734.15
IUPAC Name(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane
SMILES[SnH]C1=Cc2cc3ccc(cc4nc(cc5c(-c6ccccc6)c(-c6ccccc6)c(c(-c6ccccc6)c1n2)n5-c1ccccc1)C=C4)[nH]3
InChIInChI=1S/C44H29N4.Sn.H/c1-5-13-30(14-6-1)41-39-26-25-36(47-39)28-35-22-21-33(45-35)27-34-23-24-37(46-34)29-40-42(31-15-7-2-8-16-31)43(32-17-9-3-10-18-32)44(41)48(40)38-19-11-4-12-20-38;;/h1-25,27-29,45H;;/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;
InChIKeyDFAGSIJPNZADJZ-MUGWHKBPSA-N
XLogP10.35
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.46
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-10,12,13,23-tetraphenyl-21H-porphyrin
CID 174692197
8-(4-bromophenyl)-10,12,13,23-tetraphenyl-21H-porphyrin
CID 175252389
iron;bis(10,12,13,23-tetraphenyl-21H-porphyrin)
CID 87932024
indigane;10,12,13,23-tetraphenyl-21H-porphyrin
CID 173339315
azane;cadmium;10,12,13,23-tetraphenyl-21H-porphyrin
CID 173438210
rhodium(3+);10,12,13,23-tetraphenyl-21H-porphyrin;trichloride
CID 174850329
chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone
CID 175408706
1-(3,5,7,21-tetraphenyl-23H-porphyrin-2-yl)ethanone
CID 137225760
manganese;phenylboronic acid;10,12,13,23-tetraphenyl-21H-porphyrin
CID 174662731
(3,5,7,21-tetraphenyl-23H-porphyrin-2-yl) prop-2-enoate
CID 154636881
alumane;3-prop-2-enoxyprop-1-ene;10,12,13,23-tetraphenyl-21H-porphyrin
CID 174724155
alumane;5,7,8-triethyl-10,12,13,23-tetraphenyl-21H-porphyrin
CID 174615325

Frequently Asked Questions

What is the IUPAC name of (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane?
The IUPAC name of (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane (CID 175455906) is (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane.
What is the SMILES notation for (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane?
The canonical SMILES for (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane is [SnH]C1=Cc2cc3ccc(cc4nc(cc5c(-c6ccccc6)c(-c6ccccc6)c(c(-c6ccccc6)c1n2)n5-c1ccccc1)C=C4)[nH]3.
What is the InChIKey of (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane?
The InChIKey is DFAGSIJPNZADJZ-MUGWHKBPSA-N. The full InChI is InChI=1S/C44H29N4.Sn.H/c1-5-13-30(14-6-1)41-39-26-25-36(47-39)28-35-22-21-33(45-35)27-34-23-24-37(46-34)29-40-42(31-15-7-2-8-16-31)43(32-17-9-3-10-18-32)44(41)48(40)38-19-11-4-12-20-38;;/h1-25,27-29,45H;;/b33-27-,34-27-,35-28-,36-28-,37-29-,40-29-,41-39-,44-41-;;.
What are the key properties of (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane?
(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane has a molecular weight of 733.46 g/mol, XLogP of 10.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane is sourced from PubChem (CID 175455906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).